Geometry & MOs

Info

ID:	168205
PubChem CID:	74937189
Reduced:	F2S2N7O7C36H45 (1)
Stoich.:	A2B2C7D7E36F45 (1)
Weight, g/mol:	351.175378
ΔH_f, kcal/mol:	-323.23
Dipole, Da:	6.43
IP(EA), eV:	-8.61(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C(F)F)C(=O)NS(=O)(=O)C3CC3)OC4=NC5=CC=CC=C5N=C4C6=CC=CS6)NC(=O)NC(C)(C)C

DOS

IR

Vibrations