Geometry & MOs

Info

ID:	396092
PubChem CID:	135027375
Reduced:	ClN6O9C22H23 (1)
Stoich.:	AB6C9D22E23 (1)
Weight, g/mol:	314.123504
ΔH_f, kcal/mol:	-273.21
Dipole, Da:	4.4
IP(EA), eV:	-9.49(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3aR,6aR)-3,3a,4,6a-tetramethyl-5-sulfanylidene-6H-imidazo[4,5-d][1,3]thiazol-2-ylidene]-2,2-dimethylpropanamide

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(=O)NC1=NC2=C(C(=N1)Cl)N=CN2[C@H]3C(C([C@@H](C(O3)C(=O)NCC#C)OC(=O)C)OC(=O)C)OC(=O)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

CC(=O)NC1=NC2=C(C(=N1)Cl)N=CN2[C@H]3C(C([C@@H](C(O3)C(=O)NCC#C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):