Geometry & MOs

Info

ID:	34365
PubChem CID:	7890938
Reduced:	BrNSO3H14C15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	411.096286
ΔH_f, kcal/mol:	-85.75
Dipole, Da:	5.16
IP(EA), eV:	-8.93(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl] 2-thiophen-2-ylacetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)COC(=O)CC2=CC=CS2)Br

DOS

IR

Vibrations