Geometry & MOs

Info

ID:	394795
PubChem CID:	135023828
Reduced:	O3H7C8 (2)
Stoich.:	A3B7C8 (2)
Weight, g/mol:	371.173273
ΔH_f, kcal/mol:	-144.24
Dipole, Da:	4.21
IP(EA), eV:	-9.55(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S,5S,6R,9R)-12-hydroxy-6-methyl-18-oxo-17-oxa-7-azapentacyclo[11.7.0.02,9.03,7.014,19]icosa-1,13,19-triene-5-carboxylate

Drug info:

PubChemData

Smile

C1=COC(=C1)[C@@H](C([C@H](C2=COC=C2)O)C(=O)C3=CC=CO3)O

DOS

IR

Vibrations