Geometry & MOs

Info

ID:	180551
PubChem CID:	76652088
Reduced:	NO2F3C12H12 (2)
Stoich.:	AB2C3D12E12 (2)
Weight, g/mol:	620.123783
ΔH_f, kcal/mol:	-470.34
Dipole, Da:	8.3
IP(EA), eV:	-8.8(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[1-[3-[tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]ethoxy]-5-(6-methylsulfonylbenzimidazol-1-yl)thiophene-2-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

C1CC2=C(CC1O)C(=CC=C2)NC(=O)C3CCN(CC3)C4=CC(=C(C=C4)OC(F)(F)F)OC(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

C1CC2=C(CC1O)C(=CC=C2)NC(=O)C3CCN(CC3)C4=CC(=C(C=C4)OC(F)(F)F)OC(F)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):