Geometry & MOs

Info

ID:	406141
PubChem CID:	135076673
Reduced:	SN2O4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	314.96771
ΔH_f, kcal/mol:	-104.12
Dipole, Da:	7.39
IP(EA), eV:	-8.96(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-2-azido-3-(4-bromo-5-methylthiophen-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N/N=C(/C2=CC=CC=C2)\C(=O)OC(C)C

DOS

IR

Vibrations