Geometry & MOs

Info

ID:	141185
PubChem CID:	52833770
Reduced:	O2F3N4C18H21 (1)
Stoich.:	A2B3C4D18E21 (1)
Weight, g/mol:	470.08412
ΔH_f, kcal/mol:	-198.94
Dipole, Da:	1.45
IP(EA), eV:	-9.63(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3-bromobenzoyl)amino]ethyl]-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC=CC=C1)NC(=O)C2=C(N(N=C2)C(C)C)C(F)(F)F

DOS

IR

Vibrations