Geometry & MOs

Info

ID:	33452
PubChem CID:	7886558
Reduced:	BrO2N3H16C18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	402.99901
ΔH_f, kcal/mol:	-22.43
Dipole, Da:	1.35
IP(EA), eV:	-9.51(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylsulfanylphenyl)acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br

DOS

IR

Vibrations