Geometry & MOs

Info

ID:	297102
PubChem CID:	117608861
Reduced:	ClFO2N3C24H31 (1)
Stoich.:	ABC2D3E24F31 (1)
Weight, g/mol:	477.219448
ΔH_f, kcal/mol:	-83.31
Dipole, Da:	6.64
IP(EA), eV:	-8.92(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(2-aminoethyl)-3-[[(1S)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)-2-(oxan-4-yl)ethyl]amino]butanamide

Drug info:

PubChemData

Smile

CC[C@H](C1=C(C(=C(C=C1)Cl)OC2=CC=CC=C2)F)N[C@@H](C)CC(=O)NCCNC3CC3

DOS

IR

Vibrations