Geometry & MOs

Info

ID:	445769
PubChem CID:	135269400
Reduced:	N3O5C24H35 (1)
Stoich.:	A3B5C24D35 (1)
Weight, g/mol:	477.19249
ΔH_f, kcal/mol:	-225.95
Dipole, Da:	6.56
IP(EA), eV:	-9.05(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3,5-bis(trifluoromethyl)-N-[2,4,6-tri(propan-2-yl)phenyl]sulfanylaniline

Drug info:

PubChemData

Smile

CN1C2=C(C[C@H]3CCC3C(=N2)OC4CCCC4)C(=O)N(C1=O)CCCOC5CCCCO5

DOS

IR

Vibrations