Geometry & MOs

Info

ID:	217955
PubChem CID:	85088650
Reduced:	BrSN2O3C17H23 (1)
Stoich.:	ABC2D3E17F23 (1)
Weight, g/mol:	415.16444
ΔH_f, kcal/mol:	-133.15
Dipole, Da:	1.87
IP(EA), eV:	-9.07(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[3-[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]prop-2-enylcarbamoyl]phenyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C2=NC(CS2)(CBr)O

DOS

IR

Vibrations