Geometry & MOs

Info

ID:	313775
PubChem CID:	126617546
Reduced:	NSC12H25 (1)
Stoich.:	ABC12D25 (1)
Weight, g/mol:	618.16182
ΔH_f, kcal/mol:	17.46
Dipole, Da:	4.67
IP(EA), eV:	-8.94(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-1-[2-[(2R,4R)-2-[2-(benzenesulfonamido)ethyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-N-cyclopropylsulfonylindole-5-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCS#N

DOS

IR

Vibrations