Geometry & MOs

Info

ID:

146999

PubChem CID:

53776989

Reduced:

OC7H7 (2)

Stoich.:

AB7C7 (2)

Weight, g/mol:

1184.288204

ΔHf, kcal/mol:

-34.46

Dipole, Da:

1.95

IP(EA), eV:

-8.59(-0.03)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

benzhydryl (6S)-3-(1,3-benzothiazol-2-ylsulfanyl)-8-oxo-7-[[2-[2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OC)OC2=CC=CC=C2

DOS

IR

Vibrations