Geometry & MOs

Info

ID:	192640
PubChem CID:	78295233
Reduced:	O3N5C15H21 (1)
Stoich.:	A3B5C15D21 (1)
Weight, g/mol:	422.94439
ΔH_f, kcal/mol:	-94.41
Dipole, Da:	10.06
IP(EA), eV:	-9.39(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-chlorophenyl)-2-[(4-oxo-4aH-quinazolin-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=NC2NC(CC(=O)N2)CC(=O)OC)N

DOS

IR

Vibrations