Geometry & MOs

Info

ID:	419781
PubChem CID:	135109054
Reduced:	ClN3O3C19H22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	515.274384
ΔH_f, kcal/mol:	-86.82
Dipole, Da:	4.79
IP(EA), eV:	-8.93(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,10S,13S,16S,19S,23S)-16-benzyl-23-hydroxy-12,13-dimethyl-22-oxa-3,6,12,15,18-pentazatricyclo[17.3.1.06,10]tricosane-5,11,14,17-tetrone

Drug info:

PubChemData

Smile

CCN1CCNC(=O)C1CC(=O)NCC2=CC=C(O2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations