Geometry & MOs

Info

ID:	446308
PubChem CID:	135273943
Reduced:	ClNSH18C28 (1)
Stoich.:	ABCD18E28 (1)
Weight, g/mol:	323.076871
ΔH_f, kcal/mol:	107.02
Dipole, Da:	1.77
IP(EA), eV:	-8.02(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-thia-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=C(C=C2)NC3=CC4=C(C=C3)C5=CC=CC6=C5C(=CC=C6)S4)Cl

DOS

IR

Vibrations