Geometry & MOs

Info

ID:	149672
PubChem CID:	53789346
Reduced:	NO4C19H23 (1)
Stoich.:	AB4C19D23 (1)
Weight, g/mol:	541.058204
ΔH_f, kcal/mol:	-118.12
Dipole, Da:	3.64
IP(EA), eV:	-8.15(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-3-[(3,5-diethyltriazol-4-yl)sulfanylmethyl]-8-oxo-7-[(2-thiophen-2-ylsulfinylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CCOC(=O)OC1=CC=CC=C1OCC)C2=CC=CC=C2

DOS

IR

Vibrations