Geometry & MOs

Info

ID:	125488
PubChem CID:	50926097
Reduced:	ClFO2N5H17C21 (1)
Stoich.:	ABC2D5E17F21 (1)
Weight, g/mol:	451.102434
ΔH_f, kcal/mol:	-12.13
Dipole, Da:	4.66
IP(EA), eV:	-9.15(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethoxyphenyl)-2-[3-(2-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NN3C=NN(C(=O)C3=C2)CC(=O)NC4=C(C=C(C=C4)Cl)F

DOS

IR

Vibrations