Geometry & MOs

Info

ID:	235717
PubChem CID:	92710495
Reduced:	SN3O6C24H29 (1)
Stoich.:	AB3C6D24E29 (1)
Weight, g/mol:	453.175599
ΔH_f, kcal/mol:	-204.22
Dipole, Da:	1.24
IP(EA), eV:	-8.56(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-acetyl-N-(3-propylsulfanylpropyl)-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](CC2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)NCC4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations