Geometry & MOs

Info

ID:	427545
PubChem CID:	135159759
Reduced:	ClF2S2O4N5C20H22 (1)
Stoich.:	AB2C2D4E5F20G22 (1)
Weight, g/mol:	503.03003
ΔH_f, kcal/mol:	-175.94
Dipole, Da:	6.96
IP(EA), eV:	-9.29(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-chloro-3,4-difluorophenyl)-6-(sulfamoylamino)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-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

CC(=C)N=C(C1=N[C@@H](C(=C2N1C[C@H](C2)NS(=O)(=O)N)C(=O)OC)C3=C(C(=C(C=C3)F)F)Cl)SC

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)N=C(C1=N[C@@H](C(=C2N1C[C@H](C2)NS(=O)(=O)N)C(=O)OC)C3=C(C(=C(C=C3)F)F)Cl)SC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):