Geometry & MOs

Info

ID:	397125
PubChem CID:	135029763
Reduced:	NOSH15C18 (1)
Stoich.:	ABCD15E18 (1)
Weight, g/mol:	382.135114
ΔH_f, kcal/mol:	72.78
Dipole, Da:	4.85
IP(EA), eV:	-9.09(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,11R,16S)-12-(4-methylphenyl)sulfonyl-8,12-diazatetracyclo[9.3.2.01,9.02,7]hexadeca-2,4,6,8-tetraen-16-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=N)(=O)/C=C/C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations