Geometry & MOs

Info

ID:	391282
PubChem CID:	135004090
Reduced:	NOH17C18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	446.130028
ΔH_f, kcal/mol:	4.38
Dipole, Da:	1.78
IP(EA), eV:	-8.56(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 1-[2-(benzenesulfonyl)ethyl]-1-cyano-3,4-dihydroisoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC3=CC=CC=C3N2C(=O)C)C

DOS

IR

Vibrations