Geometry & MOs

Info

ID:

82078

PubChem CID:

49855569

Reduced:

ClFSO3N4H20C28 (1)

Stoich.:

ABCD3E4F20G28 (1)

Weight, g/mol:

655.296529

ΔHf, kcal/mol:

8.8

Dipole, Da:

2.02

IP(EA), eV:

 -8.78(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4S)-4-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-3-(4-phenylmethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=C(S5)/C=C/C(=O)NO)Cl

DOS

IR

Vibrations