Geometry & MOs

Info

ID:	153988
PubChem CID:	56313347
Reduced:	N2S2O5H24C25 (1)
Stoich.:	A2B2C5D24E25 (1)
Weight, g/mol:	477.176307
ΔH_f, kcal/mol:	-97.17
Dipole, Da:	4.57
IP(EA), eV:	-8.74(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NCC3=CC(=CC=C3)COCC4=CC=CO4

DOS

IR

Vibrations