Geometry & MOs

Info

ID:	443045
PubChem CID:	135257527
Reduced:	NSO4F5C15H18 (1)
Stoich.:	ABC4D5E15F18 (1)
Weight, g/mol:	876.509075
ΔH_f, kcal/mol:	-391.98
Dipole, Da:	4.11
IP(EA), eV:	-9.72(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[4-[4-[8-[4-[2,5-dimethyl-4-(1-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrido[3,4-b]pyrazin-8-yl)phenyl]phenyl]dibenzo-p-dioxin-2-yl]phenyl]-2,5-dimethylphenyl]-6-methyl-2,3,5,7,8,8a-hexahydro-1H-pyrido[3,4-b]pyrazine

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC[C@@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)C1=C(C(=C(C(=C1F)F)F)F)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC[C@@H](C(=O)OC(C)(C)C)N(C)S(=O)(=O)C1=C(C(=C(C(=C1F)F)F)F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):