Geometry & MOs

Info

ID:	33157
PubChem CID:	7885199
Reduced:	N3O4C23H25 (1)
Stoich.:	A3B4C23D25 (1)
Weight, g/mol:	408.129692
ΔH_f, kcal/mol:	-111.65
Dipole, Da:	2.56
IP(EA), eV:	-9.4(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 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(=O)N(CCC#N)C2=CC=CC=C2)C

DOS

IR

Vibrations