Geometry & MOs

Info

ID:	245486
PubChem CID:	99445237
Reduced:	FSN2O4C18H27 (1)
Stoich.:	ABC2D4E18F27 (1)
Weight, g/mol:	450.138006
ΔH_f, kcal/mol:	-208.54
Dipole, Da:	9.14
IP(EA), eV:	-9.6(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-ethyl-N-[(2S)-1-methoxypropan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCN([C@@H](C)COC)C(=O)C1=CC(=C(C=C1)F)S(=O)(=O)N2CCCCC2

DOS

IR

Vibrations