Geometry & MOs

Info

ID:	191366
PubChem CID:	78138034
Reduced:	O2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	493.064524
ΔH_f, kcal/mol:	-93.77
Dipole, Da:	4.04
IP(EA), eV:	-8.92(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(4-chlorophenyl)-5-cyano-6-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2(CCC(=O)C2(C)C)C)O

DOS

IR

Vibrations