Geometry & MOs

Info

ID:	37560
PubChem CID:	8022228
Reduced:	BrSO2H11C16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	374.066949
ΔH_f, kcal/mol:	7.54
Dipole, Da:	5.8
IP(EA), eV:	-8.7(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methyl-5-nitroanilino)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(=O)COC2=CC3=C(C=C2)C=C(C=C3)Br

DOS

IR

Vibrations