Geometry & MOs

Info

ID:	57659
PubChem CID:	22430783
Reduced:	O2S2N3C15H15 (1)
Stoich.:	A2B2C3D15E15 (1)
Weight, g/mol:	445.119319
ΔH_f, kcal/mol:	-33.17
Dipole, Da:	3.41
IP(EA), eV:	-8.37(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-1H-indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(CCS2)N=C1SCC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations