Geometry & MOs

Info

ID:	147395
PubChem CID:	53787051
Reduced:	O2F3N3C16H22 (1)
Stoich.:	A2B3C3D16E22 (1)
Weight, g/mol:	585.208038
ΔH_f, kcal/mol:	-153.18
Dipole, Da:	12.83
IP(EA), eV:	-9.21(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-[2-[6-(2-benzylphenyl)-4-(4-fluorophenyl)-2-propan-2-ylpyridin-3-yl]ethynyl-methoxyphosphoryl]-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C)C(=NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F)N(C)C

DOS

IR

Vibrations