Geometry & MOs

Info

ID:	378077
PubChem CID:	134224148
Reduced:	NCl3O3H16C24 (1)
Stoich.:	AB3C3D16E24 (1)
Weight, g/mol:	445.003926
ΔH_f, kcal/mol:	-52.26
Dipole, Da:	1.92
IP(EA), eV:	-9.21(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-chloro-1-(4-chlorophenyl)-2-(dihydroxymethyl)indol-3-yl]-(3-chlorophenyl)methanone

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1C3=CC=C(C=C3)Cl)C=C(C=C2)Cl)C(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations