Geometry & MOs

Info

ID:	182353
PubChem CID:	76879021
Reduced:	BrN2O5H17C19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	375.038828
ΔH_f, kcal/mol:	-96.1
Dipole, Da:	6.52
IP(EA), eV:	-8.58(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-yl)-N-[2-methoxy-5-(trifluoromethylsulfonyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)CNC(=O)C2C=CC(=NC2=O)C3=CC=CO3)Br)OC

DOS

IR

Vibrations