Geometry & MOs

Info

ID:	303377
PubChem CID:	124489600
Reduced:	NO3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	500.245727
ΔH_f, kcal/mol:	-76.42
Dipole, Da:	2.72
IP(EA), eV:	-8.7(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroindole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCN1C2=CC=CC=C2[C@H](C1=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations