Geometry & MOs

Info

ID:	378886
PubChem CID:	134224988
Reduced:	ClSF2O2N4C10H13 (1)
Stoich.:	ABC2D2E4F10G13 (1)
Weight, g/mol:	309.209264
ΔH_f, kcal/mol:	-54.3
Dipole, Da:	3.09
IP(EA), eV:	-8.89(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-6-methyl-9-(6-methylcyclohexa-2,4-dien-1-yl)-2,3,4b,5,6,8a-hexahydrocarbazole

Drug info:

PubChemData

Smile

CC1=NN(N=C1C(C)(F)S(=O)C2=NOC(C2F)(C)C)Cl

DOS

IR

Vibrations