Geometry & MOs

Info

ID:	173300
PubChem CID:	75621177
Reduced:	SN3O3C19H21 (1)
Stoich.:	AB3C3D19E21 (1)
Weight, g/mol:	389.086784
ΔH_f, kcal/mol:	-17.95
Dipole, Da:	8.23
IP(EA), eV:	-8.74(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-methyl-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-4-oxo-4aH-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1C2=C(CCN1CC3=NC(=O)C4=CC(C(=CC4=N3)OC)OC)SC=C2

DOS

IR

Vibrations