Geometry & MOs

Info

ID:	38104
PubChem CID:	8027033
Reduced:	ClON3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	339.104148
ΔH_f, kcal/mol:	13.95
Dipole, Da:	7.97
IP(EA), eV:	-9.04(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]sulfanylphenyl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)N(C)CC3=CC=CC=C3Cl

DOS

IR

Vibrations