Geometry & MOs

Info

ID:	131603
PubChem CID:	51234255
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	379.135448
ΔH_f, kcal/mol:	-53.68
Dipole, Da:	2.99
IP(EA), eV:	-9.05(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-prop-2-enylpropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations