Geometry & MOs

Info

ID:	44682
PubChem CID:	10505338
Reduced:	NSi2O3C27H51 (1)
Stoich.:	AB2C3D27E51 (1)
Weight, g/mol:	493.08386
ΔH_f, kcal/mol:	-278.46
Dipole, Da:	2.89
IP(EA), eV:	-8.86(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-3-(cyclopropylamino)-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]prop-2-enamide

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]1CC[C@]2([C@H]([C@@H]1CCO[Si](C)(C)C(C)(C)C)CCC2C(=O)C)C)C(C#N)O[Si](C)(C)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([C@H]1CC[C@]2([C@H]([C@@H]1CCO[Si](C)(C)C(C)(C)C)CCC2C(=O)C)C)C(C#N)O[Si](C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):