Geometry & MOs

Info

ID:	238832
PubChem CID:	93165574
Reduced:	NO2C8H14 (2)
Stoich.:	AB2C8D14 (2)
Weight, g/mol:	312.204907
ΔH_f, kcal/mol:	-200.45
Dipole, Da:	2.78
IP(EA), eV:	-8.99(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-methyl-2-[[4-[[(1S,2R)-2-methylcyclohexyl]amino]-4-oxobutanoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)CC(C)(C)C(=O)N2CCC[C@@H]2C(=O)O

DOS

IR

Vibrations