Geometry & MOs

Info

ID:

215245

PubChem CID:

85084421

Reduced:

N5O9C42H55 (1)

Stoich.:

A5B9C42D55 (1)

Weight, g/mol:

774.207645

ΔHf, kcal/mol:

-388.33

Dipole, Da:

4.8

IP(EA), eV:

 -8.61(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl 7-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]pent-2-enoylamino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C(C)(C)CC(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(C)C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC(C)C)C(=O)O)O)C

DOS

IR

Vibrations