Geometry & MOs

Info

ID:	65936
PubChem CID:	46484605
Reduced:	SN2O2C11H13 (2)
Stoich.:	AB2C2D11E13 (2)
Weight, g/mol:	426.136176
ΔH_f, kcal/mol:	-125.45
Dipole, Da:	7.75
IP(EA), eV:	-9.03(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethyl-6-nitrophenyl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NC(C)(C)C

DOS

IR

Vibrations