Geometry & MOs

Info

ID:	28947
PubChem CID:	830828
Reduced:	BrNO3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	346.044585
ΔH_f, kcal/mol:	-20.26
Dipole, Da:	4.22
IP(EA), eV:	-9.24(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(3-thiophen-2-ylprop-2-enoylcarbamothioylamino)benzoate

Drug info:

PubChemData

Smile

CC(=NOC(=O)COC1=CC=CC=C1)C2=CC=C(C=C2)Br

DOS

IR

Vibrations