Geometry & MOs

Info

ID:	135464
PubChem CID:	51874950
Reduced:	OSN3F4H17C19 (1)
Stoich.:	ABC3D4E17F19 (1)
Weight, g/mol:	370.225643
ΔH_f, kcal/mol:	-171.24
Dipole, Da:	5.98
IP(EA), eV:	-9.44(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-4-oxobutyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)S[C@H](C)C(=O)N(C)CC2=CC(=CC=C2)F)C#N)C(F)(F)F

DOS

IR

Vibrations