Geometry & MOs

Info

ID:	446307
PubChem CID:	135273940
Reduced:	NSH13C22 (1)
Stoich.:	ABC13D22 (1)
Weight, g/mol:	435.084849
ΔH_f, kcal/mol:	97.08
Dipole, Da:	2.57
IP(EA), eV:	-7.83(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-phenylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC4=C(C=C3N2)C5=CC=CC6=C5C(=CC=C6)S4

DOS

IR

Vibrations