Geometry & MOs

Info

ID:	65930
PubChem CID:	46391361
Reduced:	SO3N6C25H30 (1)
Stoich.:	AB3C6D25E30 (1)
Weight, g/mol:	466.17871
ΔH_f, kcal/mol:	-61.42
Dipole, Da:	6.3
IP(EA), eV:	-8.82(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)CN2C=NC3=C(C2=O)SC(=N3)N4CCCC(C4)C(=O)NC5CC5)C

DOS

IR

Vibrations