Geometry & MOs

Info

ID:	418254
PubChem CID:	135104011
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	542.321668
ΔH_f, kcal/mol:	-69.17
Dipole, Da:	5.65
IP(EA), eV:	-9.02(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,9S,12R)-3-benzyl-7,12-dimethyl-9-propan-2-yl-13-[(2S)-pyrrolidine-2-carbonyl]-1,4,7,10,13-pentazacyclohexadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CN(CC1CC2=CC=CC=C2O1)C(=O)CCCN3C=NC4=CC=CC=C4C3=O

DOS

IR

Vibrations