Geometry & MOs

Info

ID:	421019
PubChem CID:	135115243
Reduced:	ON4C18H26 (1)
Stoich.:	AB4C18D26 (1)
Weight, g/mol:	588.327148
ΔH_f, kcal/mol:	-4.21
Dipole, Da:	5.98
IP(EA), eV:	-9.11(0.31)
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-methoxypropanamide

Drug info:

PubChemData

Smile

CC(CC(=O)N(CCN(C)C)CC1=CN=CN1)C2=CC=CC=C2

DOS

IR

Vibrations