Geometry & MOs

Info

ID:	34095
PubChem CID:	7889791
Reduced:	NO2S2C21H21 (1)
Stoich.:	AB2C2D21E21 (1)
Weight, g/mol:	407.01908
ΔH_f, kcal/mol:	-28.4
Dipole, Da:	2.49
IP(EA), eV:	-8.7(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromoanilino)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CSC3=C(C=CC(=C3)C)C

DOS

IR

Vibrations