Geometry & MOs

Info

ID:	417689
PubChem CID:	135102498
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	629.345631
ΔH_f, kcal/mol:	-9.45
Dipole, Da:	1.52
IP(EA), eV:	-9.12(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R,8R)-2-benzyl-14-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-5-methyl-8-propan-2-yl-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)CNC(=O)C2=CC=CN2C(C)C

DOS

IR

Vibrations