Geometry & MOs

Info

ID:	34097
PubChem CID:	7889796
Reduced:	NF2S2O3C19H19 (1)
Stoich.:	AB2C2D3E19F19 (1)
Weight, g/mol:	407.01908
ΔH_f, kcal/mol:	-198.66
Dipole, Da:	8.08
IP(EA), eV:	-9.18(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-bromoanilino)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)NC2=CC=C(C=C2)SC(F)F

DOS

IR

Vibrations