Geometry & MOs

Info

ID:	178499
PubChem CID:	76336869
Reduced:	SN2O3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	427.167811
ΔH_f, kcal/mol:	-66.74
Dipole, Da:	9.92
IP(EA), eV:	-8.93(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-oxo-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CCCN(C)C(=O)C1=CC=C(C=C1)NS(=O)(=O)C=CC2=CC=CC=C2

DOS

IR

Vibrations