Geometry & MOs

Info

ID:	219219
PubChem CID:	85096578
Reduced:	PO6C25H37 (1)
Stoich.:	AB6C25D37 (1)
Weight, g/mol:	464.161722
ΔH_f, kcal/mol:	-306.62
Dipole, Da:	0.89
IP(EA), eV:	-8.79(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[2-(6,7-dimethoxy-1-methyl-3,4-dihydroisochromen-1-yl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOP(=O)(OCC)OC1=C(CCC(C1C2=C(C=CC(=C2)CC=C)OCOC)C(=C)C)C

DOS

IR

Vibrations