Geometry & MOs

Info

ID:	334483
PubChem CID:	127253158
Reduced:	N3O5C26H31 (1)
Stoich.:	A3B5C26D31 (1)
Weight, g/mol:	524.182648
ΔH_f, kcal/mol:	-169.26
Dipole, Da:	4.6
IP(EA), eV:	-8.23(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentylamino]spiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

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@H](C)[C@@H](C(=O)N1CC2=CC(=C(C=C2C[C@H]1C(=O)N)OC)OC)N3CC4=CC=CC=C4C3=O

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@H](C)[C@@H](C(=O)N1CC2=CC(=C(C=C2C[C@H]1C(=O)N)OC)OC)N3CC4=CC=CC=C4C3=O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):