Geometry & MOs

Info

ID:	193931
PubChem CID:	78457858
Reduced:	SO2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	343.135448
ΔH_f, kcal/mol:	-45.33
Dipole, Da:	5.89
IP(EA), eV:	-8.54(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-2-[(2-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-4-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)N=C3C2CCCC3

DOS

IR

Vibrations