Geometry & MOs

Info

ID:	425353
PubChem CID:	135126017
Reduced:	SO3N4F6C22H22 (1)
Stoich.:	AB3C4D6E22F22 (1)
Weight, g/mol:	506.117036
ΔH_f, kcal/mol:	-329.3
Dipole, Da:	3.94
IP(EA), eV:	-9.35(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[2,3-difluoro-5-[(Z)-2-fluoro-2-[5-[(4-methyl-1,3-thiazol-2-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine

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

CC1(C(=NC(CS1(=O)=O)(C)C2=C(C=CC(=C2)C=C(C3=CN=C(C=N3)OCC(C(F)F)(F)F)F)F)N)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

CC1(C(=NC(CS1(=O)=O)(C)C2=C(C=CC(=C2)C=C(C3=CN=C(C=N3)OCC(C(F)F)(F)F)F)F)N)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):