Geometry & MOs

Info

ID:	419029
PubChem CID:	135107365
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	658.322731
ΔH_f, kcal/mol:	-89.43
Dipole, Da:	3.88
IP(EA), eV:	-9.15(-0.21)
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]quinoxaline-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OCC(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3)C

DOS

IR

Vibrations