Geometry & MOs

Info

ID:

214575

PubChem CID:

85083218

Reduced:

NO6C33H45 (1)

Stoich.:

AB6C33D45 (1)

Weight, g/mol:

551.216171

ΔHf, kcal/mol:

-243.12

Dipole, Da:

4.04

IP(EA), eV:

 -8.6(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl 6-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-hydroxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)NC2=CC=C(C=C2)CC3C(C(C(C(O3)CO)O)O)O)C)C

DOS

IR

Vibrations