Geometry & MOs

Info

ID:	442018
PubChem CID:	135247986
Reduced:	SO3N6C26H32 (1)
Stoich.:	AB3C6D26E32 (1)
Weight, g/mol:	362.214033
ΔH_f, kcal/mol:	-51.92
Dipole, Da:	2.3
IP(EA), eV:	-8.81(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hexyl-7-[1-(2-methoxyethylamino)ethenyl]-3-methyl-4-methylidenethieno[3,2-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCOC(=O)CCCNCC1=CC2=C(S1)C(=O)N(C(=N2)N3CCC[C@H](C3)N)CC4=CC=CC=C4C#N

DOS

IR

Vibrations