Geometry & MOs

Info

ID:	26567
PubChem CID:	652966
Reduced:	ClN2O3H7C10 (1)
Stoich.:	AB2C3D7E10 (1)
Weight, g/mol:	425.140927
ΔH_f, kcal/mol:	-107.56
Dipole, Da:	1.97
IP(EA), eV:	-9.79(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetylphenyl)-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

C1C(=O)NC(=O)N(C1=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations