Geometry & MOs

Info

ID:	242669
PubChem CID:	97857811
Reduced:	FNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	301.11365
ΔH_f, kcal/mol:	-99.93
Dipole, Da:	5.42
IP(EA), eV:	-9.85(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C(=O)N[C@H](CO)C2=CC=CC=C2

DOS

IR

Vibrations