Geometry & MOs

Info

ID:	219229
PubChem CID:	85096618
Reduced:	O8C25H38 (1)
Stoich.:	A8B25C38 (1)
Weight, g/mol:	466.119002
ΔH_f, kcal/mol:	-397.85
Dipole, Da:	3.56
IP(EA), eV:	-9.79(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC12CCCC(C1CCC34C2CCC(C3)C(=O)C4)(C)C(=O)OC5C(C(C(C(O5)CO)O)O)O

DOS

IR

Vibrations