Geometry & MOs

Info

ID:

184278

PubChem CID:

77138704

Reduced:

O2N3C30H31 (1)

Stoich.:

A2B3C30D31 (1)

Weight, g/mol:

552.066794

ΔHf, kcal/mol:

12.9

Dipole, Da:

3.03

IP(EA), eV:

 -8.46(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-enyl 7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=CC=CC=C21)NCC3CN(C4=CC=CC=C4O3)C5=CC=CC(=C5)C(=O)N(C)C

DOS

IR

Vibrations