Geometry & MOs

Info

ID:	238833
PubChem CID:	93165575
Reduced:	NO2C8H14 (2)
Stoich.:	AB2C8D14 (2)
Weight, g/mol:	312.204907
ΔH_f, kcal/mol:	-233.02
Dipole, Da:	2.16
IP(EA), eV:	-9.81(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)CCC(=O)N[C@@H](C(C)C)C(=O)O

DOS

IR

Vibrations