Geometry & MOs

Info

ID:	45633
PubChem CID:	10515869
Reduced:	O5C14H18 (1)
Stoich.:	A5B14C18 (1)
Weight, g/mol:	266.126657
ΔH_f, kcal/mol:	-207.12
Dipole, Da:	1.86
IP(EA), eV:	-8.63(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3S)-3-[(1R)-1-hydroxyethyl]-9-methyl-4-oxo-5,9-diazatricyclo[5.4.0.02,5]undec-6-ene-6-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)OC1=C(C2=C(CCCO2)C(=C1)O)OC(=O)C

DOS

IR

Vibrations