Geometry & MOs

Info

ID:	426694
PubChem CID:	135153391
Reduced:	N2O3C19H30 (1)
Stoich.:	A2B3C19D30 (1)
Weight, g/mol:	463.250478
ΔH_f, kcal/mol:	-143.89
Dipole, Da:	4.64
IP(EA), eV:	-8.44(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[cyclohexyl(2-methylpropyl)amino]-3-[(2-methoxyacetyl)carbamothioylamino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=C2)C(C)CC(=O)O)N

DOS

IR

Vibrations