Geometry & MOs

Info

ID:	33164
PubChem CID:	7885241
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	373.200156
ΔH_f, kcal/mol:	-149.21
Dipole, Da:	5.35
IP(EA), eV:	-9.62(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2(CCCCC2)C#N)C

DOS

IR

Vibrations