Geometry & MOs

Info

ID:	218141
PubChem CID:	85088942
Reduced:	NSO2C26H43 (1)
Stoich.:	ABC2D26E43 (1)
Weight, g/mol:	433.119319
ΔH_f, kcal/mol:	-106.09
Dipole, Da:	3.85
IP(EA), eV:	-8.08(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3-chlorophenyl)-2-methyl-5-oxo-4-(phenylhydrazinylidene)indole-3-carboxylate

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2S(=O)NC(C3=CC=CC=C3)C(C)(C)C)OCC(C)(C)C)C)C

DOS

IR

Vibrations