Geometry & MOs

Info

ID:	187925
PubChem CID:	77644469
Reduced:	SCl2O3N5H13C14 (1)
Stoich.:	AB2C3D5E13F14 (1)
Weight, g/mol:	423.202128
ΔH_f, kcal/mol:	-34.32
Dipole, Da:	3.92
IP(EA), eV:	-9.15(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[6-hydroxy-9,9-dimethyl-6-(trifluoromethyl)-7,8-dihydro-5H-benzo[7]annulen-5-yl]amino]-4a,5,6,7,8,8a-hexahydroisochromen-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)N)NC(=CC2=C(C=NC=C2Cl)Cl)C(=O)NN

DOS

IR

Vibrations