Geometry & MOs

Info

ID:

215390

PubChem CID:

85084667

Reduced:

SN8O13C39H52 (1)

Stoich.:

AB8C13D39E52 (1)

Weight, g/mol:

873.339671

ΔHf, kcal/mol:

-557.29

Dipole, Da:

6.35

IP(EA), eV:

 -9.1(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl 2-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(1-cyano-3-hydroxy-4-pyridin-4-ylsulfanylbutan-2-yl)-4-oxoazetidin-1-yl]-2-(triphenyl-lambda5-phosphanylidene)acetate

Drug info:

PubChemData

Smile

CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)SCC(C(=O)N1)NC(=O)C(C(C)C)NC(=O)C(CO)NC(=O)C(CC(=O)O)N)CC2=CC=CC=C2)CC3=CC=C(C=C3)O)CO

DOS

IR

Vibrations