Geometry & MOs

Info

ID:	417622
PubChem CID:	135102285
Reduced:	SO2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	644.332233
ΔH_f, kcal/mol:	8.1
Dipole, Da:	5.35
IP(EA), eV:	-9.39(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R,8R)-2-benzyl-5-methyl-14-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-8-propan-2-yl-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CNC(=O)CCCC2=NC(=NO2)C3=CC=CC=C3C

DOS

IR

Vibrations