Geometry & MOs

Info

ID:	37861
PubChem CID:	8025163
Reduced:	SO3N4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	347.1333
ΔH_f, kcal/mol:	-72.59
Dipole, Da:	3.4
IP(EA), eV:	-8.68(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 3,5-difluorobenzoate

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)N(C(=O)N1)CC(=O)N(CC=C)C2=NC3=C(S2)CCCC3)C4CC4

DOS

IR

Vibrations