Geometry & MOs

Info

ID:	175039
PubChem CID:	75849009
Reduced:	SO4N5C22H32 (1)
Stoich.:	AB4C5D22E32 (1)
Weight, g/mol:	428.112996
ΔH_f, kcal/mol:	-146.1
Dipole, Da:	4.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755664
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-morpholin-4-ylsulfonylphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine

Drug info:

PubChemData

Smile

COC(=O)C1=C(NC(=O)NC1C2=CC=CS2)CN3CCC(CC3)(C(=O)N)[NH+]4CCCCC4

DOS

IR

Vibrations