Geometry & MOs

Info

ID:

215196

PubChem CID:

85084348

Reduced:

N3O4C20H29 (2)

Stoich.:

A3B4C20D29 (2)

Weight, g/mol:

751.249826

ΔHf, kcal/mol:

-332.97

Dipole, Da:

8.4

IP(EA), eV:

 -9.39(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 7-[[2-(methoxyamino)-2-(2-tritylimino-1,3-thiazol-5-ylidene)acetyl]amino]-8-oxo-3-(oxolan-2-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1(C2C1C(N(C2)C(=O)C(C3CCCCC3)NC(=O)OC(C)(C)C)C(=O)NC(CC4CC4)C(=O)C(=O)NCC(=O)NC(C5=CC=CC=C5)C(=O)N(C)C)C

DOS

IR

Vibrations