Geometry & MOs

Info

ID:	145063
PubChem CID:	53454660
Reduced:	NO2H6C7 (3)
Stoich.:	AB2C6D7 (3)
Weight, g/mol:	287.142939
ΔH_f, kcal/mol:	-134.09
Dipole, Da:	5.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.818604
Charge, e:	-1

Chem-info

IUPAC name:

2-[(2-methylcyclohexyl)carbamoylamino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CC=C(C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)OC)NC3=CC=C(C=C3)C(=O)[O-]

DOS

IR

Vibrations