Geometry & MOs

Info

ID:	235702
PubChem CID:	92710458
Reduced:	SN3O4C20H29 (1)
Stoich.:	AB3C4D20E29 (1)
Weight, g/mol:	448.214427
ΔH_f, kcal/mol:	-176.03
Dipole, Da:	3.79
IP(EA), eV:	-9.3(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)[C@@H]1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations