Geometry & MOs

Info

ID:	142988
PubChem CID:	53128814
Reduced:	S2O3N4H22C23 (1)
Stoich.:	A2B3C4D22E23 (1)
Weight, g/mol:	490.159866
ΔH_f, kcal/mol:	-55.21
Dipole, Da:	2.17
IP(EA), eV:	-8.78(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[2-(3,4-difluoroanilino)-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-propylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCSC1=NC2=C(S1)C(=O)N(C(=O)N2CC(=O)NC3=CC(=CC(=C3)C)C)C4=CC=CC=C4

DOS

IR

Vibrations