Geometry & MOs

Info

ID:	33135
PubChem CID:	7885090
Reduced:	N3O4C19H25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	359.184506
ΔH_f, kcal/mol:	-151.83
Dipole, Da:	5.4
IP(EA), eV:	-9.62(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations