Geometry & MOs

Info

ID:	321842
PubChem CID:	126667067
Reduced:	O3F4N6H20C21 (1)
Stoich.:	A3B4C6D20E21 (1)
Weight, g/mol:	403.074837
ΔH_f, kcal/mol:	-211.52
Dipole, Da:	6.04
IP(EA), eV:	-9.04(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-[(methylideneamino)-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]amino]acetamide

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

C1COC[C@H]([C@@H]1O)NC2=NC=NC3=NNC(=C32)C(=O)N4C[C@H](C[C@@H]4C5=C(C(=CC(=C5)F)F)F)F

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

C1COC[C@H]([C@@H]1O)NC2=NC=NC3=NNC(=C32)C(=O)N4C[C@H](C[C@@H]4C5=C(C(=CC(=C5)F)F)F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):