Geometry & MOs

Info

ID:	315882
PubChem CID:	126629252
Reduced:	O4N6C31H44 (1)
Stoich.:	A4B6C31D44 (1)
Weight, g/mol:	458.104261
ΔH_f, kcal/mol:	-154.97
Dipole, Da:	7.59
IP(EA), eV:	-8.79(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-N-[2,4-dimethyl-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-1-morpholin-4-ylmethanimine

Drug info:

PubChemData

Smile

CCC1=NC2=C(C=CC(=C2)/C=C/C(C)(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N3CCC[C@H](N3)C(=O)N)C=C1C

DOS

IR

Vibrations