Geometry & MOs

Info

ID:

215403

PubChem CID:

85084685

Reduced:

N8O10C45H68 (1)

Stoich.:

A8B10C45D68 (1)

Weight, g/mol:

880.291341

ΔHf, kcal/mol:

-497.99

Dipole, Da:

2.53

IP(EA), eV:

 -9.24(0.21)

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-(1,3,4-thiadiazol-2-ylsulfanyl)butan-2-yl]-4-oxoazetidin-1-yl]-2-(triphenyl-lambda5-phosphanylidene)acetate

Drug info:

PubChemData

Smile

CCC(C(=O)N)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations