Geometry & MOs

Info

ID:	397407
PubChem CID:	135030177
Reduced:	BrOSN2C18H23 (1)
Stoich.:	ABCD2E18F23 (1)
Weight, g/mol:	304.193949
ΔH_f, kcal/mol:	-33.39
Dipole, Da:	3.33
IP(EA), eV:	-8.99(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9S)-16-benzyl-8,16-diazatetracyclo[7.4.3.01,9.02,7]hexadeca-2,4,6-triene

Drug info:

PubChemData

Smile

CC1=CC(=CC2=CC(=CN=C12)Br)CC(C(=O)NC(C)(C)C)SC

DOS

IR

Vibrations