Geometry & MOs

Info

ID:	235767
PubChem CID:	92710583
Reduced:	SO4N5C24H37 (1)
Stoich.:	AB4C5D24E37 (1)
Weight, g/mol:	477.240976
ΔH_f, kcal/mol:	-165.75
Dipole, Da:	6.08
IP(EA), eV:	-8.62(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CCNC(=O)[C@H]2CC3=C(N2C(=O)C)C=CC(=C3)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations