Geometry & MOs

Info

ID:	65926
PubChem CID:	46391352
Reduced:	SO3N6C24H28 (1)
Stoich.:	AB3C6D24E28 (1)
Weight, g/mol:	480.19436
ΔH_f, kcal/mol:	-54.97
Dipole, Da:	5.33
IP(EA), eV:	-8.48(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations