Geometry & MOs

Info

ID:	365877
PubChem CID:	127319127
Reduced:	OSN4C17H18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	383.177982
ΔH_f, kcal/mol:	30.99
Dipole, Da:	8.53
IP(EA), eV:	-8.53(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-pyridin-2-ylsulfanylpyridin-4-yl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2CC1CN2C(=O)NC3=CC(=NC=C3)SC4=CC=CC=N4

DOS

IR

Vibrations