Geometry & MOs

Info

ID:	328616
PubChem CID:	126725982
Reduced:	N2O4H17C20 (2)
Stoich.:	A2B4C17D20 (2)
Weight, g/mol:	346.153741
ΔH_f, kcal/mol:	-85.6
Dipole, Da:	3.64
IP(EA), eV:	-9.13(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-N-(2-phenylsulfanylethyl)-2-N-(thiophen-2-ylmethyl)cyclohexane-1,2-diamine

Drug info:

PubChemData

Smile

CC#CC1=CC(=NC(=C1)C(=O)O)CN(CC2=CC(=CC(=C2)CN(CC3=NC(=CC(=C3)C#CC)OC=O)CC(=O)O)C#CC4=CC=CC=C4)COC=O

DOS

IR

Vibrations