Geometry & MOs

Info

ID:	145383
PubChem CID:	53513984
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	402.066126
ΔH_f, kcal/mol:	-9.88
Dipole, Da:	5.1
IP(EA), eV:	-8.78(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)C

DOS

IR

Vibrations