Geometry & MOs

Info

ID:	270849
PubChem CID:	103638416
Reduced:	NOSF5H8C10 (1)
Stoich.:	ABCD5E8F10 (1)
Weight, g/mol:	359.98763
ΔH_f, kcal/mol:	-272.89
Dipole, Da:	1.3
IP(EA), eV:	-10.11(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(5-bromo-2-chloropyridine-3-carbonyl)-prop-2-enylamino]acetate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)F)C(=O)NCCSC(F)(F)F

DOS

IR

Vibrations