Geometry & MOs

Info

ID:

190253

PubChem CID:

77977691

Reduced:

S2N4O8C25H26 (1)

Stoich.:

A2B4C8D25E26 (1)

Weight, g/mol:

574.119206

ΔHf, kcal/mol:

-183.45

Dipole, Da:

13.24

IP(EA), eV:

 -8.84(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl 3-[(2-hydroxyoxan-2-yl)amino]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N(C1C2N(C1=O)C(=C(CS2)NC3(CCCCO3)O)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CS5

DOS

IR

Vibrations