Geometry & MOs

Info

ID:	123302
PubChem CID:	50841212
Reduced:	OS2N7C18H19 (1)
Stoich.:	AB2C7D18E19 (1)
Weight, g/mol:	438.079804
ΔH_f, kcal/mol:	87.32
Dipole, Da:	6.4
IP(EA), eV:	-8.7(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-[3-(4-fluorophenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C=NC4=C3SC(=N4)N(C)C

DOS

IR

Vibrations