Geometry & MOs

Info

ID:	34096
PubChem CID:	7889795
Reduced:	BrNSO3C18H18 (1)
Stoich.:	ABCD3E18F18 (1)
Weight, g/mol:	411.077442
ΔH_f, kcal/mol:	-93.23
Dipole, Da:	6.11
IP(EA), eV:	-8.98(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(difluoromethylsulfanyl)anilino]-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)Br

DOS

IR

Vibrations