Geometry & MOs

Info

ID:	37679
PubChem CID:	8023059
Reduced:	S2O3N4C16H16 (1)
Stoich.:	A2B3C4D16E16 (1)
Weight, g/mol:	380.078851
ΔH_f, kcal/mol:	-15.78
Dipole, Da:	3.5
IP(EA), eV:	-8.74(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)C(=O)CSC2=NN=C3N2C=CC=C3)S(=O)(=O)C

DOS

IR

Vibrations