Geometry & MOs

Info

ID:	235766
PubChem CID:	92710581
Reduced:	SN4O4C22H32 (1)
Stoich.:	AB4C4D22E32 (1)
Weight, g/mol:	491.256626
ΔH_f, kcal/mol:	-167.08
Dipole, Da:	3.15
IP(EA), eV:	-9.12(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-acetyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](CC2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)NCCN4CCCC4

DOS

IR

Vibrations