Geometry & MOs

Info

ID:	83276
PubChem CID:	49857388
Reduced:	OF4N6H26C28 (1)
Stoich.:	AB4C6D26E28 (1)
Weight, g/mol:	516.244916
ΔH_f, kcal/mol:	-85.41
Dipole, Da:	4.84
IP(EA), eV:	-9.25(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[5-[[2-(5-cyanopyridin-3-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]pyridin-2-yl]-1-(3,4-difluorophenyl)ethyl]-2-methylpropanamide

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

C[C@@H](C1=CN=C(C=C1)[C@@](C)(C2=CC(=C(C=C2)F)F)NC(=O)C(F)F)N3CC4(C3)CN(C4)C5=CN=CC(=C5)C#N

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

C[C@@H](C1=CN=C(C=C1)[C@@](C)(C2=CC(=C(C=C2)F)F)NC(=O)C(F)F)N3CC4(C3)CN(C4)C5=CN=CC(=C5)C#N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):