Geometry & MOs

Info

ID:	65931
PubChem CID:	46391363
Reduced:	SO3N6C23H26 (1)
Stoich.:	AB3C6D23E26 (1)
Weight, g/mol:	496.189275
ΔH_f, kcal/mol:	-42.61
Dipole, Da:	2.89
IP(EA), eV:	-9.14(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC3=C(S2)C(=O)N(C=N3)CC(=O)NCC4=CC=CC=C4)C(=O)NC5CC5

DOS

IR

Vibrations