Geometry & MOs

Info

ID:	238835
PubChem CID:	93165579
Reduced:	NO2C8H14 (2)
Stoich.:	AB2C8D14 (2)
Weight, g/mol:	312.204907
ΔH_f, kcal/mol:	-229.52
Dipole, Da:	2.98
IP(EA), eV:	-9.95(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)O)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCC

DOS

IR

Vibrations