Geometry & MOs

Info

ID:	33151
PubChem CID:	7885186
Reduced:	N2O3C14H16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	363.179421
ΔH_f, kcal/mol:	-91.93
Dipole, Da:	2.88
IP(EA), eV:	-9.53(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)O[C@H](C)C#N)C

DOS

IR

Vibrations