Geometry & MOs

Info

ID:	68159
PubChem CID:	46507859
Reduced:	ClO2N3H16C18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	300.075491
ΔH_f, kcal/mol:	-34.36
Dipole, Da:	0.72
IP(EA), eV:	-9.09(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methylsulfanylphenyl)methyl]-1,4-dihydroquinazoline-2-thione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C(C2=O)C)Cl

DOS

IR

Vibrations