Geometry & MOs

Info

ID:	133792
PubChem CID:	51589592
Reduced:	NO2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	434.140863
ΔH_f, kcal/mol:	-172.49
Dipole, Da:	3.5
IP(EA), eV:	-9.73(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)NC

DOS

IR

Vibrations