Geometry & MOs

Info

ID:	320191
PubChem CID:	126658615
Reduced:	O8C31H44 (1)
Stoich.:	A8B31C44 (1)
Weight, g/mol:	465.309038
ΔH_f, kcal/mol:	-267.51
Dipole, Da:	6.25
IP(EA), eV:	-8.68(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-[1-(propan-2-yloxymethyl)cyclopentyl]carbamate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)OCCOC1=C(C=C(C=C1)/C=C/C(=O)O[C@@H]2CC[C@]3(CO3)[C@H]([C@@H]2OC)C4(C(O4)CC=C(C)C)C)OC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)OCCOC1=C(C=C(C=C1)/C=C/C(=O)O[C@@H]2CC[C@]3(CO3)[C@H]([C@@H]2OC)C4(C(O4)CC=C(C)C)C)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):