Geometry & MOs

Info

ID:	36529
PubChem CID:	8008041
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	287.109233
ΔH_f, kcal/mol:	-79.28
Dipole, Da:	5.83
IP(EA), eV:	-8.49(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)N[C@@H]2CCCC[C@@H]2NC(=O)NC3=CC=CC(=C3)C

DOS

IR

Vibrations