Geometry & MOs

Info

ID:	378614
PubChem CID:	134224706
Reduced:	O2F3N6C24H33 (1)
Stoich.:	A2B3C6D24E33 (1)
Weight, g/mol:	394.149718
ΔH_f, kcal/mol:	-164.66
Dipole, Da:	4.74
IP(EA), eV:	-9.05(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-7-yl)propan-2-yl]-1,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole 6,6-dioxide

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)C1=NNC2=C1CN(CC(C2)CC(C)C3=NNC4=C3CN(C4)C(=O)CC(F)(F)F)C5COC5

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)C1=NNC2=C1CN(CC(C2)CC(C)C3=NNC4=C3CN(C4)C(=O)CC(F)(F)F)C5COC5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):