Geometry & MOs

Info

ID:	303866
PubChem CID:	124490426
Reduced:	N3O4C7H9 (1)
Stoich.:	A3B4C7D9 (1)
Weight, g/mol:	414.204239
ΔH_f, kcal/mol:	-109.39
Dipole, Da:	5.53
IP(EA), eV:	-11.02(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2S,9R,10S,11S,14R,15S,17R)-2,15-dimethyl-4',5-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)N1C(=CN=N1)C(=O)OC

DOS

IR

Vibrations