Geometry & MOs

Info

ID:	425852
PubChem CID:	135128287
Reduced:	SN6C24H32 (1)
Stoich.:	AB6C24D32 (1)
Weight, g/mol:	402.129652
ΔH_f, kcal/mol:	57.24
Dipole, Da:	3.39
IP(EA), eV:	-8.0(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC2=NC(=NC3=C2SC=C3)NC4=CC(=CC=C4)N5CCN(CC5)C

DOS

IR

Vibrations