Geometry & MOs

Info

ID:	391097
PubChem CID:	135002790
Reduced:	N3O6C19H31 (1)
Stoich.:	A3B6C19D31 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-255.72
Dipole, Da:	6.81
IP(EA), eV:	-9.82(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR,10aR)-3a-methyl-5-methylidene-6,6a,7,8,9,10-hexahydro-4H-naphtho[1,8a-d][1,3]dioxol-2-one

Drug info:

PubChemData

Smile

CC(C)[C@@H](/C=C(\C#N)/C(=O)OC)N(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations