Geometry & MOs

Info

ID:	263250
PubChem CID:	103349388
Reduced:	S2N3O3C12H19 (1)
Stoich.:	A2B3C3D12E19 (1)
Weight, g/mol:	325.066717
ΔH_f, kcal/mol:	-84.49
Dipole, Da:	4.87
IP(EA), eV:	-8.67(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropylsulfonyl-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,2-thiazol-3-amine

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C2=C(C(=NS2)N)S(=O)(=O)C3CC3

DOS

IR

Vibrations