Geometry & MOs

Info

ID:	299799
PubChem CID:	117695612
Reduced:	SF2N3O5H23C27 (1)
Stoich.:	AB2C3D5E23F27 (1)
Weight, g/mol:	528.299951
ΔH_f, kcal/mol:	-215.54
Dipole, Da:	5.88
IP(EA), eV:	-8.89(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-hydroxy-1-(4-phenylmethoxyphenyl)propan-2-yl]-5-(oxan-4-yloxy)pentanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)CC(=O)NC2=C(C=C(C=C2)OC3=C4C(=NC=C3)C=C(S4)C(=O)NCCC(=O)OC)F

DOS

IR

Vibrations