Geometry & MOs

Info

ID:	142789
PubChem CID:	53091362
Reduced:	FSN2O3H21C23 (1)
Stoich.:	ABC2D3E21F23 (1)
Weight, g/mol:	458.08672
ΔH_f, kcal/mol:	-103.6
Dipole, Da:	5.92
IP(EA), eV:	-8.48(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations