Geometry & MOs

Info

ID:	166254
PubChem CID:	74656899
Reduced:	N4O5C24H26 (1)
Stoich.:	A4B5C24D26 (1)
Weight, g/mol:	367.990152
ΔH_f, kcal/mol:	-169.73
Dipole, Da:	6.93
IP(EA), eV:	-8.84(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dichloro-N-methyl-N-[(4-oxo-4aH-thieno[3,2-d]pyrimidin-2-yl)methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C2C(CC(CN2)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CC(=C4)C)C(=O)NC1=O

DOS

IR

Vibrations