Geometry & MOs

Info

ID:	31483
PubChem CID:	855775
Reduced:	NOC11H12 (2)
Stoich.:	ABC11D12 (2)
Weight, g/mol:	325.088498
ΔH_f, kcal/mol:	-58.77
Dipole, Da:	4.73
IP(EA), eV:	-8.95(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide

Drug info:

PubChemData

Smile

CCC(=O)N(CC1=CC=C(C=C1)C)CC2=CC3=C(C=CC(=C3)C)NC2=O

DOS

IR

Vibrations