Geometry & MOs

Info

ID:	155255
PubChem CID:	56324093
Reduced:	N5O5C22H23 (1)
Stoich.:	A5B5C22D23 (1)
Weight, g/mol:	462.208947
ΔH_f, kcal/mol:	-53.4
Dipole, Da:	7.92
IP(EA), eV:	-8.95(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzoyl]piperazin-1-yl]-3-methylbutanenitrile

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)C(=O)C3=NNC4=C3C=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations