Geometry & MOs

Info

ID:

163283

PubChem CID:

57695782

Reduced:

PO9C48H73 (1)

Stoich.:

AB9C48D73 (1)

Weight, g/mol:

705.274435

ΔHf, kcal/mol:

-497.78

Dipole, Da:

8.56

IP(EA), eV:

 -7.95(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4R)-3-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)ethyl]sulfanyl-4-[4-(3-hydroxyphenyl)-2-phenylmethoxyphenyl]-1-phenylazetidin-2-one

Drug info:

PubChemData

Smile

CCCCCCOC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=CC(=C(C=C24)OCCCCCC)OP(=O)(O)O)OCCCCCC)OCCCCCC)OCCCCCC

DOS

IR

Vibrations