Geometry & MOs

Info

ID:

146270

PubChem CID:

53662307

Reduced:

SN2Cl3O5H13C18 (1)

Stoich.:

AB2C3D5E13F18 (1)

Weight, g/mol:

969.322991

ΔHf, kcal/mol:

-149.72

Dipole, Da:

4.88

IP(EA), eV:

 -9.16(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl (6R,7R)-3-hex-1-en-3-ynyl-7-[[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]imino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N2[C@H](C(C2=O)N3C(=O)C4=CC=CC=C4C3=O)SC1)C(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations