Geometry & MOs

Info

ID:	157195
PubChem CID:	56422382
Reduced:	SN3O4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	387.080826
ΔH_f, kcal/mol:	-79.65
Dipole, Da:	1.64
IP(EA), eV:	-8.68(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylbutanamide

Drug info:

PubChemData

Smile

CCC(C(=O)N)SC1=N/C(=C/C2=CC=C(C=C2)OC)/C(=O)N1C3=CC(=CC=C3)OC

DOS

IR

Vibrations