Geometry & MOs

Info

ID:	123110
PubChem CID:	50833608
Reduced:	SO4N5C23H27 (1)
Stoich.:	AB4C5D23E27 (1)
Weight, g/mol:	451.088117
ΔH_f, kcal/mol:	-109.74
Dipole, Da:	3.89
IP(EA), eV:	-8.19(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-fluorophenyl)-2-(6-ethyl-5,7-dioxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CN2C3=C(C(=O)N(C2=O)CC=C)SC(=N3)N4CCCCC4

DOS

IR

Vibrations