Geometry & MOs

Info

ID:	45998
PubChem CID:	10520222
Reduced:	NBr2O2C9H13 (1)
Stoich.:	AB2C2D9E13 (1)
Weight, g/mol:	327.067762
ΔH_f, kcal/mol:	-62.51
Dipole, Da:	5.53
IP(EA), eV:	-9.72(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfanyl-3-(2-nitrophenyl)quinazolin-4-one

Drug info:

PubChemData

Smile

CC(C)CC1=C(C(=O)N(O1)CBr)CBr

DOS

IR

Vibrations