Geometry & MOs

Info

ID:	195513
PubChem CID:	78695026
Reduced:	SN2O4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	428.233802
ΔH_f, kcal/mol:	-75.71
Dipole, Da:	3.24
IP(EA), eV:	-8.41(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-(1-phenylethyl)azanium

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N2C(=O)C(=CC3=CC(=C(C=C3OC)OC)OC)NC2=S

DOS

IR

Vibrations