Geometry & MOs

Info

ID:	351999
PubChem CID:	127282917
Reduced:	SO2N3C14H25 (1)
Stoich.:	AB2C3D14E25 (1)
Weight, g/mol:	271.135448
ΔH_f, kcal/mol:	-120.27
Dipole, Da:	4.52
IP(EA), eV:	-8.7(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(2-oxoazepan-3-yl)thiomorpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCS1)C(=O)NC2CCC(CC2)C(=O)NC

DOS

IR

Vibrations