Geometry & MOs

Info

ID:	393778
PubChem CID:	135021676
Reduced:	O2N3C27H27 (1)
Stoich.:	A2B3C27D27 (1)
Weight, g/mol:	533.213698
ΔH_f, kcal/mol:	-6.71
Dipole, Da:	2.8
IP(EA), eV:	-8.98(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-benzyl-15-morpholin-4-yl-2-phenylsulfanyl-11,17-diazatetracyclo[9.7.0.03,8.013,18]octadeca-3,5,7,13,15,17-hexaen-12-one

Drug info:

PubChemData

Smile

CC12C3=CC=CC=C3CCN1C(=O)C4=CC(=C(N=C24)CC5=CC=CC=C5)N6CCOCC6

DOS

IR

Vibrations