Geometry & MOs

Info

ID:	421911
PubChem CID:	135116825
Reduced:	SO2N4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	652.369681
ΔH_f, kcal/mol:	-3.44
Dipole, Da:	3.19
IP(EA), eV:	-9.12(-0.85)
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]-3-(2-ethylimidazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CN1C=NC=C1CN(CCO)C(=O)CC2=CSC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations