Geometry & MOs

Info

ID:	45454
PubChem CID:	10513684
Reduced:	NO3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	231.147058
ΔH_f, kcal/mol:	-95.51
Dipole, Da:	8.8
IP(EA), eV:	-8.96(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3S)-2-ethyl-3-(methoxycarbonylamino)-4-methylpentanoate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)/C=C/C(=O)O

DOS

IR

Vibrations