Geometry & MOs

Info

ID:	132455
PubChem CID:	51363424
Reduced:	ClSO3N6C22H23 (1)
Stoich.:	ABC3D6E22F23 (1)
Weight, g/mol:	496.189275
ΔH_f, kcal/mol:	-49.82
Dipole, Da:	6.19
IP(EA), eV:	-8.91(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-1-[6-[2-[(4-methoxyphenyl)methylamino]-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=CC=C(C=C5)Cl

DOS

IR

Vibrations