Geometry & MOs

Info

ID:	218372
PubChem CID:	85089242
Reduced:	ClN4O6C20H27 (1)
Stoich.:	AB4C6D20E27 (1)
Weight, g/mol:	452.103352
ΔH_f, kcal/mol:	-247.25
Dipole, Da:	5.8
IP(EA), eV:	-9.47(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(5-chloropyridin-2-yl)-N-[3-hydroxy-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)amino]propyl]oxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)C2=C(C=CC(=C2)N3C(=O)N(C(=O)CN3)CC(CO)O)Cl)O

DOS

IR

Vibrations