Geometry & MOs

Info

ID:	310056
PubChem CID:	126573375
Reduced:	N2O7C28H44 (1)
Stoich.:	A2B7C28D44 (1)
Weight, g/mol:	451.268236
ΔH_f, kcal/mol:	-250.4
Dipole, Da:	4.46
IP(EA), eV:	-9.41(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 3-(dimethylcarbamoylamino)azetidine-1-carboxylate

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

CCN(CCC1CN(C1)C(=O)O[C@@H]2CC[C@]3(CO3)[C@H]([C@@H]2OC)[C@@]4([C@H](O4)CC=C(C)C)C)C(=O)OCC=C

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

CCN(CCC1CN(C1)C(=O)O[C@@H]2CC[C@]3(CO3)[C@H]([C@@H]2OC)[C@@]4([C@H](O4)CC=C(C)C)C)C(=O)OCC=C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):