Geometry & MOs

Info

ID:

448911

PubChem CID:

135294454

Reduced:

ClFISN5C18H20 (1)

Stoich.:

ABCDE5F18G20 (1)

Weight, g/mol:

845.320502

ΔHf, kcal/mol:

26.66

Dipole, Da:

8.7

IP(EA), eV:

 -8.72(-2.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2(C1)CCN(CC2)C3=CN=C(C(=N3)NI)SC4=C(C(=NC=C4)F)Cl

DOS

IR

Vibrations