Geometry & MOs

Info

ID:	178238
PubChem CID:	76300608
Reduced:	S2N4O5C19H22 (1)
Stoich.:	A2B4C5D19E22 (1)
Weight, g/mol:	482.165762
ΔH_f, kcal/mol:	-138.33
Dipole, Da:	10.06
IP(EA), eV:	-8.32(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(methanesulfonamido)-4-methylphenyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=CC=C(C=C1)NC(=O)C(C)NC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations