Geometry & MOs

Info

ID:	417775
PubChem CID:	135102703
Reduced:	N3O4C18H21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	721.358782
ΔH_f, kcal/mol:	-128.77
Dipole, Da:	5.07
IP(EA), eV:	-9.04(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6R,9S,12S,18R)-12-benzyl-16-(1H-indole-3-carbonyl)-3,9,10-trimethyl-18-phenyl-6-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14-pentone

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C3(CCN(CC3)C(=O)C4=CNC(=O)N4)OCC2

DOS

IR

Vibrations