Geometry & MOs

Info

ID:	417645
PubChem CID:	135102382
Reduced:	ClON4C19H25 (1)
Stoich.:	ABC4D19E25 (1)
Weight, g/mol:	558.352969
ΔH_f, kcal/mol:	-10.32
Dipole, Da:	5.15
IP(EA), eV:	-8.5(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CCCNC(=O)C2=C(C=CC(=C2)N3CCCCC3)Cl

DOS

IR

Vibrations