Geometry & MOs

Info

ID:	65221
PubChem CID:	29204632
Reduced:	ClS2N3O6C18H20 (1)
Stoich.:	AB2C3D6E18F20 (1)
Weight, g/mol:	448.15537
ΔH_f, kcal/mol:	-187.15
Dipole, Da:	9.42
IP(EA), eV:	-9.05(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(2S)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)CC[C@H](C(=O)NNC(=O)C1=CC=C(C=C1)Cl)NS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations