Geometry & MOs

Info

ID:	131604
PubChem CID:	51234256
Reduced:	SO2N3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	395.166748
ΔH_f, kcal/mol:	-15.75
Dipole, Da:	2.65
IP(EA), eV:	-9.19(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylpropyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NCC=C

DOS

IR

Vibrations