Geometry & MOs

Info

ID:

44885

PubChem CID:

10506350

Reduced:

O2S2N4H28C29 (1)

Stoich.:

A2B2C4D28E29 (1)

Weight, g/mol:

528.112185

ΔHf, kcal/mol:

-7.54

Dipole, Da:

5.79

IP(EA), eV:

 -8.24(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl (2S,3S,5R)-3-[(E)-3-[(2-chloroacetyl)carbamoyloxy]prop-1-enyl]-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N)SC2=CC=C(C=C2)NC(=O)CCCC(=O)NC3=CC=C(C=C3)SC4=CC=CC=C4N

DOS

IR

Vibrations