Geometry & MOs

Info

ID:	423308
PubChem CID:	135119281
Reduced:	ClON3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	682.347883
ΔH_f, kcal/mol:	-33.63
Dipole, Da:	2.9
IP(EA), eV:	-8.95(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6S,9R,12R,15S)-6-benzyl-4,9-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclooctadec-15-yl]-2-phenylbenzamide

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)N2CCC(CC2)CCO)Cl

DOS

IR

Vibrations