Geometry & MOs

Info

ID:	228845
PubChem CID:	87565938
Reduced:	SiZrCl2C38H40 (1)
Stoich.:	ABC2D38E40 (1)
Weight, g/mol:	638.202716
ΔH_f, kcal/mol:	35.38
Dipole, Da:	4.51
IP(EA), eV:	-7.36(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(benzenesulfonamido)-3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]-N-(4-phenoxybutyl)propanamide

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)(C)C1=CC2=CC=CC=C2[CH-]1.CC(C)(C)C1=CC2=CC=CC=C2[CH-]1.C1=CC=C(C=C1)[Si](=[Zr+2])C2=CC=CC=C2.[Cl-].[Cl-]

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)(C)C1=CC2=CC=CC=C2[CH-]1.CC(C)(C)C1=CC2=CC=CC=C2[CH-]1.C1=CC=C(C=C1)[Si](=[Zr+2])C2=CC=CC=C2.[Cl-].[Cl-]

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):