Geometry & MOs

Info

ID:	84503
PubChem CID:	49867038
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	353.231456
ΔH_f, kcal/mol:	-94.83
Dipole, Da:	4.43
IP(EA), eV:	-8.69(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-5-[cyclohexyl(cyclohexylcarbamoyl)amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CC(=O)N(CCN)CC(=O)O

DOS

IR

Vibrations