Geometry & MOs

Info

ID:	194191
PubChem CID:	78497028
Reduced:	SO3N4C16H22 (1)
Stoich.:	AB3C4D16E22 (1)
Weight, g/mol:	285.151098
ΔH_f, kcal/mol:	-128.68
Dipole, Da:	7.26
IP(EA), eV:	-8.51(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[(4-ethyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCC1CC(=O)NC(N1)SCC(=O)NC2=CC=C(C=C2)NC(=O)C

DOS

IR

Vibrations