Geometry & MOs

Info

ID:	325086
PubChem CID:	126680471
Reduced:	BrN2O4C18H23 (1)
Stoich.:	AB2C4D18E23 (1)
Weight, g/mol:	389.192569
ΔH_f, kcal/mol:	-163.06
Dipole, Da:	2.7
IP(EA), eV:	-9.72(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-[2-(4-aminophenyl)sulfanylphenyl]-N'-(2,5-diethylphenyl)ethene-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)OC)NC(=O)C2=CC(=CC=C2)Br

DOS

IR

Vibrations