Geometry & MOs

Info

ID:	43870
PubChem CID:	10321908
Reduced:	FN2O5H17C23 (1)
Stoich.:	AB2C5D17E23 (1)
Weight, g/mol:	458.122418
ΔH_f, kcal/mol:	-142.71
Dipole, Da:	4.38
IP(EA), eV:	-9.05(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-difluorophenyl)methyl]-N-[(2-methoxypyridin-4-yl)methyl]-1-methyl-2-oxo-4H-thieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCO/C(=C/1\C=C(C(=O)N2C(=CC3=C2C=C(C=C3)F)C1=O)NC(=O)C4=CC=CC=C4)/O

DOS

IR

Vibrations