Geometry & MOs

Info

ID:	43081
PubChem CID:	10318367
Reduced:	NSO2C9H10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	-119.48
Dipole, Da:	3.95
IP(EA), eV:	-9.5(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-phenyl-1-[5-(pyrrolidine-1-carbonyl)pyridin-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)O)C(CSSCC(C2=CC(=CC=C2)C(=O)O)N)N

DOS

IR

Vibrations