Geometry & MOs

Info

ID:	45853
PubChem CID:	10518246
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	299.173273
ΔH_f, kcal/mol:	-88.9
Dipole, Da:	8.39
IP(EA), eV:	-8.57(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-cyclohex-2-en-1-yloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)N)C3=NN(C(=O)C=C31)CCCC(=O)O

DOS

IR

Vibrations