Geometry & MOs

Info

ID:	302784
PubChem CID:	124395333
Reduced:	SN2O5H24C25 (1)
Stoich.:	AB2C5D24E25 (1)
Weight, g/mol:	452.148455
ΔH_f, kcal/mol:	-131.96
Dipole, Da:	10.41
IP(EA), eV:	-8.51(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-[(E)-[(3-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]indol-1-yl]methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=CC(=C2C)/C=C/3\C(=O)N(C(=O)S3)CC4=CC=C(O4)C(=O)OC)C)C

DOS

IR

Vibrations