Geometry & MOs

Info

ID:	132080
PubChem CID:	51303353
Reduced:	SN2O2C15H22 (1)
Stoich.:	AB2C2D15E22 (1)
Weight, g/mol:	359.083683
ΔH_f, kcal/mol:	-73.66
Dipole, Da:	2.48
IP(EA), eV:	-8.9(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-3-(7-fluoro-4-oxoquinazolin-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1CN(CCO1)CCC(=O)NC2=CC=CC=C2SC

DOS

IR

Vibrations