Geometry & MOs

Info

ID:	379803
PubChem CID:	134464939
Reduced:	FNO5H18C23 (1)
Stoich.:	ABC5D18E23 (1)
Weight, g/mol:	810.254577
ΔH_f, kcal/mol:	-164.44
Dipole, Da:	4.25
IP(EA), eV:	-8.72(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3E)-2-hydroxy-3-[(6E)-4-(4-methyl-N-(4-methylphenyl)anilino)-6-methylsulfonyliminocyclohexa-2,4-dien-1-ylidene]-4-oxocyclobuten-1-yl]-5-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methanesulfonamide

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

COC1=CC=C(C=C1)C2(C3=C(C=CC=C3F)C(=O)O2)NC4=CC=CC=C4C(=O)OC

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

COC1=CC=C(C=C1)C2(C3=C(C=CC=C3F)C(=O)O2)NC4=CC=CC=C4C(=O)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):