Geometry & MOs

Info

ID:	138692
PubChem CID:	52410272
Reduced:	SN2O5C20H22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	-94.67
Dipole, Da:	4.94
IP(EA), eV:	-8.78(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-4-propoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC2=C(C=C1)OCCO2)NC(=O)[C@H](C)SC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations