Geometry & MOs

Info

ID:	137877
PubChem CID:	52277678
Reduced:	SN3O4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	293.119798
ΔH_f, kcal/mol:	-163.51
Dipole, Da:	5.53
IP(EA), eV:	-9.93(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-2-oxoazepan-3-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide

Drug info:

PubChemData

Smile

C1CCNC(=O)[C@H](C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3CCCC3

DOS

IR

Vibrations