Geometry & MOs

Info

ID:	351644
PubChem CID:	127280666
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	381.038788
ΔH_f, kcal/mol:	-13.55
Dipole, Da:	4.71
IP(EA), eV:	-8.8(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(2-methyl-1,3-thiazol-4-yl)sulfonyl]piperazin-1-yl]thieno[3,2-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=CN=C2N3CCN(CC3)CC(=O)NC4CCCCC4

DOS

IR

Vibrations