Geometry & MOs

Info

ID:	42667
PubChem CID:	8149837
Reduced:	SN3O4C20H29 (1)
Stoich.:	AB3C4D20E29 (1)
Weight, g/mol:	401.132861
ΔH_f, kcal/mol:	-165.74
Dipole, Da:	6.58
IP(EA), eV:	-9.06(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chlorophenyl)-2-[(cyclooctylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)CNC3CCCCCCC3)C(=O)OCCOC

DOS

IR

Vibrations