Geometry & MOs

Info

ID:	132454
PubChem CID:	51363423
Reduced:	SO3N6C25H30 (1)
Stoich.:	AB3C6D25E30 (1)
Weight, g/mol:	486.124087
ΔH_f, kcal/mol:	-59.44
Dipole, Da:	6.31
IP(EA), eV:	-8.91(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)CN2C=NC3=C(C2=O)SC(=N3)N4CCC(CC4)C(=O)NC5CC5)C

DOS

IR

Vibrations