Geometry & MOs

Info

ID:	37206
PubChem CID:	8018235
Reduced:	N2O3H18C23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	360.033541
ΔH_f, kcal/mol:	-20.81
Dipole, Da:	5.96
IP(EA), eV:	-8.78(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations