Geometry & MOs

Info

ID:	142790
PubChem CID:	53091363
Reduced:	ClFSN2O3H20C23 (1)
Stoich.:	ABCD2E3F20G23 (1)
Weight, g/mol:	454.136257
ΔH_f, kcal/mol:	-114.64
Dipole, Da:	7.18
IP(EA), eV:	-8.74(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations