Geometry & MOs

Info

ID:	420549
PubChem CID:	135113776
Reduced:	SO2N4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	650.306412
ΔH_f, kcal/mol:	-39.26
Dipole, Da:	6.14
IP(EA), eV:	-8.9(-0.38)
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]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC(=NC=C2)NC3CCCN(C3)C(=O)C4=CC=CS4

DOS

IR

Vibrations