Geometry & MOs

Info

ID:	442971
PubChem CID:	135257201
Reduced:	Cl2O2S2N5C25H31 (1)
Stoich.:	A2B2C2D5E25F31 (1)
Weight, g/mol:	463.100037
ΔH_f, kcal/mol:	-14.67
Dipole, Da:	7.04
IP(EA), eV:	-8.56(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-8-[5-(2,3-dichlorophenyl)sulfanylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

Drug info:

PubChemData

Smile

C[C@H]1[C@H](C2(CCN(CC2)C3=NC=C(N4C3=CN=C4)SC5=C(C(=CC=C5)Cl)Cl)CO1)NS(=O)C(C)(C)C

DOS

IR

Vibrations