Geometry & MOs

Info

ID:	425471
PubChem CID:	135126439
Reduced:	BrSF2O2N4H17C18 (1)
Stoich.:	ABC2D2E4F17G18 (1)
Weight, g/mol:	536.145359
ΔH_f, kcal/mol:	-81.83
Dipole, Da:	3.24
IP(EA), eV:	-9.41(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[5-[(Z)-2-[5-[(2,5-dimethyl-1,3-oxazol-4-yl)methoxy]pyrazin-2-yl]-2-fluoroethenyl]-2,3-difluorophenyl]-2,5-dimethyl-1,1-dioxo-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(CS(=O)(=O)N(C(=N1)N)C)C2=C(C=CC(=C2)C=C(C3=NC=C(C=C3)Br)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

CC1(CS(=O)(=O)N(C(=N1)N)C)C2=C(C=CC(=C2)C=C(C3=NC=C(C=C3)Br)F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):