Geometry & MOs

Info

ID:	235768
PubChem CID:	92710584
Reduced:	SO4N5C23H35 (1)
Stoich.:	AB4C5D23E35 (1)
Weight, g/mol:	477.240976
ΔH_f, kcal/mol:	-156.8
Dipole, Da:	7.02
IP(EA), eV:	-8.47(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-acetyl-N-[2-(4-methylpiperazin-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)NCCN4CCN(CC4)C

DOS

IR

Vibrations