Geometry & MOs

Info

ID:	28398
PubChem CID:	827364
Reduced:	ClNOSH12C15 (1)
Stoich.:	ABCDE12F15 (1)
Weight, g/mol:	267.108171
ΔH_f, kcal/mol:	-5.82
Dipole, Da:	3.28
IP(EA), eV:	-8.87(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10R)-12-methyl-2-thia-12-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaene

Drug info:

PubChemData

Smile

C1[C@H](C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)C(=O)N

DOS

IR

Vibrations