Geometry & MOs

Info

ID:	41970
PubChem CID:	8147981
Reduced:	OSCl2N3H11C17 (1)
Stoich.:	ABC2D3E11F17 (1)
Weight, g/mol:	389.156184
ΔH_f, kcal/mol:	41.14
Dipole, Da:	3.35
IP(EA), eV:	-8.94(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)/C(=C/C3=C(C(=CC=C3)Cl)Cl)/C#N)C

DOS

IR

Vibrations