Geometry & MOs

Info

ID:	60061
PubChem CID:	26675631
Reduced:	FSN3O5H20C23 (1)
Stoich.:	ABC3D5E20F23 (1)
Weight, g/mol:	461.016781
ΔH_f, kcal/mol:	-147.2
Dipole, Da:	4.21
IP(EA), eV:	-8.54(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dichlorophenyl)methyl]-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)NC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)F

DOS

IR

Vibrations