Geometry & MOs

Info

ID:	194138
PubChem CID:	78490098
Reduced:	SN4O4C20H22 (1)
Stoich.:	AB4C4D20E22 (1)
Weight, g/mol:	390.172562
ΔH_f, kcal/mol:	-98.8
Dipole, Da:	6.93
IP(EA), eV:	-9.08(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-cyclopentylsulfanyl-4-oxo-6-(propanoylamino)-1,3-diazinan-5-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NC2C(NC(NC2=O)SCC(=O)C3=CC=CC=C3)N

DOS

IR

Vibrations