Geometry & MOs

Info

ID:	448914
PubChem CID:	135294470
Reduced:	OSN6C26H44 (1)
Stoich.:	ABC6D26E44 (1)
Weight, g/mol:	472.262046
ΔH_f, kcal/mol:	-29.53
Dipole, Da:	3.05
IP(EA), eV:	-8.75(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-[2-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)butyl]pyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)propyl]formamide

Drug info:

PubChemData

Smile

CCC(CC1CCCN1CCC(C2=NC=CS2)NC(=O)C3CCCC3)N(C(=N)C)C(=N)C(C)C

DOS

IR

Vibrations