Geometry & MOs

Info

ID:	151078
PubChem CID:	53790775
Reduced:	NOSiC12H21 (1)
Stoich.:	ABCD12E21 (1)
Weight, g/mol:	561.087572
ΔH_f, kcal/mol:	-92.51
Dipole, Da:	1.77
IP(EA), eV:	-8.22(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-3-[(4-methoxyphenyl)methoxycarbonylcarbamoyloxymethyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCC[Si](C)(C)OC1=CC=C(C=C1)N

DOS

IR

Vibrations