Geometry & MOs

Info

ID:	345676
PubChem CID:	127269976
Reduced:	NOC7H12 (2)
Stoich.:	ABC7D12 (2)
Weight, g/mol:	390.172562
ΔH_f, kcal/mol:	-111.24
Dipole, Da:	3.03
IP(EA), eV:	-9.5(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-oxoazepan-3-yl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)NC2CCCCNC2=O

DOS

IR

Vibrations