Geometry & MOs

Info

ID:	297032
PubChem CID:	117606539
Reduced:	OF2N2H22C23 (1)
Stoich.:	AB2C2D22E23 (1)
Weight, g/mol:	390.151034
ΔH_f, kcal/mol:	-52.63
Dipole, Da:	3.77
IP(EA), eV:	-8.59(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[[(1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]amino]-3-cyclopropylpropanamide

Drug info:

PubChemData

Smile

CC[C@@H](C1=C(C(=C(C=C1)F)OC2=CC=CC=C2)F)NC3=CC=CC4=C3CNC4

DOS

IR

Vibrations