Geometry & MOs

Info

ID:	418330
PubChem CID:	135104198
Reduced:	ON5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	600.363533
ΔH_f, kcal/mol:	44.42
Dipole, Da:	3.58
IP(EA), eV:	-9.38(-1.14)
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]-4-methylpentanamide

Drug info:

PubChemData

Smile

CCC(C1=CC=NN1C)NC(=O)C2=CN3C=CN=C3C=C2

DOS

IR

Vibrations