Geometry & MOs

Info

ID:	56008
PubChem CID:	17403682
Reduced:	SO3N5C19H19 (1)
Stoich.:	AB3C5D19E19 (1)
Weight, g/mol:	396.161997
ΔH_f, kcal/mol:	-73.34
Dipole, Da:	4.34
IP(EA), eV:	-8.77(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-3-ylacetamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC(=O)NC

DOS

IR

Vibrations