Geometry & MOs

Info

ID:	189444
PubChem CID:	77857241
Reduced:	Cl2O2N4C19H34 (1)
Stoich.:	A2B2C4D19E34 (1)
Weight, g/mol:	388.203193
ΔH_f, kcal/mol:	-166.38
Dipole, Da:	5.93
IP(EA), eV:	-9.29(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-diamino-5-[(2-tert-butylcyclohexyl)sulfanylmethyl]-6-methoxy-4,6-dioxohexanoic acid

Drug info:

PubChemData

Smile

CC(C)CCN(C(CC1=CC=CC=C1)C(=O)N)C(=O)C(CN(C)C)N.Cl.Cl

DOS

IR

Vibrations