Geometry & MOs

Info

ID:	322671
PubChem CID:	126670769
Reduced:	PSN3O8C20H30 (1)
Stoich.:	ABC3D8E20F30 (1)
Weight, g/mol:	502.250144
ΔH_f, kcal/mol:	-397.04
Dipole, Da:	4.52
IP(EA), eV:	-9.18(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2-[2-[(2-methoxy-4,6-dimethylpyridin-3-yl)methylamino]ethyl]-4-methylthiophene-3-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

CNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)N(C(=O)N2)CC3=C(C=C(C=C3OC)OP(=O)(O)O)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

CNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)N(C(=O)N2)CC3=C(C=C(C=C3OC)OP(=O)(O)O)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):