Geometry & MOs

Info

ID:	322930
PubChem CID:	126671600
Reduced:	N2S2O4C9H16 (1)
Stoich.:	A2B2C4D9E16 (1)
Weight, g/mol:	407.232125
ΔH_f, kcal/mol:	-123.35
Dipole, Da:	7.22
IP(EA), eV:	-9.12(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[3-methyl-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C=CN1CC(S1(=O)=O)CCCN2CCS2(=O)=O

DOS

IR

Vibrations