Geometry & MOs

Info

ID:	425830
PubChem CID:	135128209
Reduced:	OS2N7C22H31 (1)
Stoich.:	AB2C7D22E31 (1)
Weight, g/mol:	374.134737
ΔH_f, kcal/mol:	18.34
Dipole, Da:	8.92
IP(EA), eV:	-8.0(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[4-(methylamino)cyclohexyl]-2-N-(3-methyl-1,2-thiazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1(CCC(CC1)NC2=NC(=NC3=C2SC=C3)NC4=CC(=NS4)CN5CCN(CC5)C)O

DOS

IR

Vibrations