Geometry & MOs

Info

ID:	132457
PubChem CID:	51363426
Reduced:	SO5N6C23H24 (1)
Stoich.:	AB5C6D23E24 (1)
Weight, g/mol:	480.19436
ΔH_f, kcal/mol:	-103.7
Dipole, Da:	7.78
IP(EA), eV:	-8.43(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2CCN(CC2)C3=NC4=C(S3)C(=O)N(C=N4)CC(=O)NC5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations