Geometry & MOs

Info

ID:	160912
PubChem CID:	57390220
Reduced:	SO2N7H13C15 (1)
Stoich.:	AB2C7D13E15 (1)
Weight, g/mol:	503.208803
ΔH_f, kcal/mol:	44.24
Dipole, Da:	9.17
IP(EA), eV:	-9.44(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-1H-indol-2-yl)-[4-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC=NC(=C12)N)NC3=CC=C(C=C3)S(=O)(=O)N)C#N

DOS

IR

Vibrations