Geometry & MOs

Info

ID:	79463
PubChem CID:	49754961
Reduced:	SO3N5C18H21 (1)
Stoich.:	AB3C5D18E21 (1)
Weight, g/mol:	464.217203
ΔH_f, kcal/mol:	-51.89
Dipole, Da:	3.74
IP(EA), eV:	-9.18(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-N-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]oxamide

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)C(=O)NCC2=CSC=C2)C(=O)C3=NC=CN=C3

DOS

IR

Vibrations