Geometry & MOs

Info

ID:	238834
PubChem CID:	93165576
Reduced:	NO2C8H14 (2)
Stoich.:	AB2C8D14 (2)
Weight, g/mol:	312.204907
ΔH_f, kcal/mol:	-232.84
Dipole, Da:	4.85
IP(EA), eV:	-9.59(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-[[(1R,2S)-2-(ethylcarbamoyl)cyclohexanecarbonyl]amino]-3-methylpentanoic 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