Geometry & MOs

Info

ID:	448932
PubChem CID:	135294569
Reduced:	NSO2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	857.320502
ΔH_f, kcal/mol:	-77.92
Dipole, Da:	1.77
IP(EA), eV:	-9.01(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-[[(2R)-8-[6-amino-5-[2-(trifluoromethyl)pyridin-3-yl]sulfanylpyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-4-yl]methylideneamino]-8-azaspiro[4.5]decan-8-yl]-3-[2-(trifluoromethyl)pyridin-3-yl]sulfanylpyrazin-2-amine

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

CCOC(=O)C1=CC2=C(S1)C(CN(C2)C)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

CCOC(=O)C1=CC2=C(S1)C(CN(C2)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):