Geometry & MOs

Info

ID:	124315
PubChem CID:	50878523
Reduced:	OSN3H11C13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	383.163377
ΔH_f, kcal/mol:	79.09
Dipole, Da:	2.35
IP(EA), eV:	-8.65(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-[(1-benzylindol-3-yl)methylidene]hydrazinyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(N3C=CSC3=N2)/C=N\O

DOS

IR

Vibrations