Geometry & MOs

Info

ID:	142788
PubChem CID:	53091358
Reduced:	ClFSN2O3H18C22 (1)
Stoich.:	ABCD2E3F18G22 (1)
Weight, g/mol:	424.125692
ΔH_f, kcal/mol:	-105.97
Dipole, Da:	7.19
IP(EA), eV:	-8.91(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations