Geometry & MOs

Info

ID:	438572
PubChem CID:	135228316
Reduced:	SCl2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	442.176265
ΔH_f, kcal/mol:	30.16
Dipole, Da:	5.84
IP(EA), eV:	-8.54(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[6-amino-5-[(E)-4-ethenylimino-5,5,5-trifluoropent-2-en-3-yl]sulfanylpyrazin-2-yl]-1-oxa-8-azaspiro[4.5]decan-4-amine

Drug info:

PubChemData

Smile

C1CCC2(C1)CCN(CC2)C3=CN=C(C(=N3)N)SC4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations