Geometry & MOs

Info

ID:	295027
PubChem CID:	117512098
Reduced:	BrNO4C13H18 (1)
Stoich.:	ABC4D13E18 (1)
Weight, g/mol:	330.98778
ΔH_f, kcal/mol:	-151.54
Dipole, Da:	6.21
IP(EA), eV:	-9.15(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-bromo-4-(1,1-dioxothietan-3-yl)oxyphenyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)Br)C(CCC(=O)O)N)OC

DOS

IR

Vibrations