Geometry & MOs

Info

ID:	345871
PubChem CID:	127270171
Reduced:	O2S2N3C18H25 (1)
Stoich.:	A2B2C3D18E25 (1)
Weight, g/mol:	381.208613
ΔH_f, kcal/mol:	-74.72
Dipole, Da:	4.06
IP(EA), eV:	-8.9(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-oxoazepan-1-yl)-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]acetamide

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)N2CCSCC2)NC(=O)CSC3=CC=NC=C3

DOS

IR

Vibrations