Geometry & MOs

Info

ID:	385577
PubChem CID:	134979457
Reduced:	SN2O7C23H34 (1)
Stoich.:	AB2C7D23E34 (1)
Weight, g/mol:	512.219237
ΔH_f, kcal/mol:	-250.93
Dipole, Da:	6.75
IP(EA), eV:	-9.23(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2S)-2-[[bis(prop-2-enoxycarbonyl)amino]-methylsulfonylamino]-1-methyl-4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate

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(=CCCC1=C[C@H]([C@@H](CC1)C(=O)C)N(N(C(=O)OCC=C)C(=O)OCC=C)S(=O)(=O)C)C

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(=CCCC1=C[C@H]([C@@H](CC1)C(=O)C)N(N(C(=O)OCC=C)C(=O)OCC=C)S(=O)(=O)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):