Geometry & MOs

Info

ID:	65924
PubChem CID:	46391339
Reduced:	ClSO3N6C22H23 (1)
Stoich.:	ABC3D6E22F23 (1)
Weight, g/mol:	480.19436
ΔH_f, kcal/mol:	-47.31
Dipole, Da:	7.87
IP(EA), eV:	-9.17(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC3=C(S2)C(=O)N(C=N3)CC(=O)NC4=CC(=CC=C4)Cl)C(=O)NC5CC5

DOS

IR

Vibrations