Geometry & MOs

Info

ID:	158149
PubChem CID:	56463066
Reduced:	SN3O4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	492.04669
ΔH_f, kcal/mol:	-102.11
Dipole, Da:	10.57
IP(EA), eV:	-9.63(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[1-(3-sulfamoylphenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)/C=C/C2=CC=C(C=C2)C(=O)NC

DOS

IR

Vibrations