Geometry & MOs

Info

ID:	32935
PubChem CID:	7849610
Reduced:	NSO5C22H27 (1)
Stoich.:	ABC5D22E27 (1)
Weight, g/mol:	359.1333
ΔH_f, kcal/mol:	-197.92
Dipole, Da:	6.45
IP(EA), eV:	-8.68(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=CC=CC=C1NC(=O)[C@@H](C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)C

DOS

IR

Vibrations