Geometry & MOs

Info

ID:	65935
PubChem CID:	46484602
Reduced:	ClSN2O2H15C18 (1)
Stoich.:	ABC2D2E15F18 (1)
Weight, g/mol:	474.139548
ΔH_f, kcal/mol:	-26.96
Dipole, Da:	3.68
IP(EA), eV:	-8.79(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(tert-butylsulfamoyl)phenyl]-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations