Geometry & MOs

Info

ID:	34098
PubChem CID:	7889801
Reduced:	BrNSO3C18H18 (1)
Stoich.:	ABCD3E18F18 (1)
Weight, g/mol:	397.03062
ΔH_f, kcal/mol:	-94.92
Dipole, Da:	3.23
IP(EA), eV:	-9.04(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations