Geometry & MOs

Info

ID:	448903
PubChem CID:	135294410
Reduced:	ClSO2N5C28H40 (1)
Stoich.:	ABC2D5E28F40 (1)
Weight, g/mol:	386.188881
ΔH_f, kcal/mol:	-55.82
Dipole, Da:	9.08
IP(EA), eV:	-8.57(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-amino-2,3-dimethylpyridin-4-yl)sulfanyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-amine

Drug info:

PubChemData

Smile

CCC(CC1CCCN1CCC(C2=CC=C(S2)Cl)NC(=O)C)N3C(=NC4=C3CCN(C4)C(=O)C5CC5)C

DOS

IR

Vibrations