Geometry & MOs

Info

ID:	237853
PubChem CID:	92721962
Reduced:	FSN3O4C23H26 (1)
Stoich.:	ABC3D4E23F26 (1)
Weight, g/mol:	473.144299
ΔH_f, kcal/mol:	-185.91
Dipole, Da:	7.5
IP(EA), eV:	-8.47(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)C4(C)C)C)F

DOS

IR

Vibrations