Geometry & MOs

Info

ID:	422804
PubChem CID:	135118441
Reduced:	ON3C22H27 (1)
Stoich.:	AB3C22D27 (1)
Weight, g/mol:	639.34207
ΔH_f, kcal/mol:	-21.95
Dipole, Da:	4.22
IP(EA), eV:	-8.8(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,7S,10R)-17-benzoyl-4-benzyl-10-methyl-7-(2-methylpropyl)-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CC(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)C

DOS

IR

Vibrations