Geometry & MOs

Info

ID:	233759
PubChem CID:	92093359
Reduced:	FSN3O4H18C19 (1)
Stoich.:	ABC3D4E18F19 (1)
Weight, g/mol:	414.05791
ΔH_f, kcal/mol:	-119.51
Dipole, Da:	6.13
IP(EA), eV:	-9.17(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-4-methoxyphenyl)-N-[[6-(furan-2-yl)pyridin-3-yl]methyl]propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)NCCC(=O)NCC2=CN=C(C=C2)C3=CC=CO3)F

DOS

IR

Vibrations