Geometry & MOs

Info

ID:	84178
PubChem CID:	49864786
Reduced:	OCl2N6C27H28 (1)
Stoich.:	AB2C6D27E28 (1)
Weight, g/mol:	492.179755
ΔH_f, kcal/mol:	57.05
Dipole, Da:	7.53
IP(EA), eV:	-8.87(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[(1Z)-1-[1-(4-methylphenyl)-2-oxo-5-pyrrol-1-ylindol-3-ylidene]ethyl]amino]carbamoyl]benzoic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)CCNC(=O)C2=CC=C(C=C2)C3=CN=C4N3N=C(C=C4)NCC5=CC(=C(C=C5)Cl)Cl

DOS

IR

Vibrations