Geometry & MOs

Info

ID:	158900
PubChem CID:	57244162
Reduced:	S3O8N10C23H24 (1)
Stoich.:	A3B8C10D23E24 (1)
Weight, g/mol:	573.125388
ΔH_f, kcal/mol:	-65.41
Dipole, Da:	4.0
IP(EA), eV:	-8.97(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[(2-chlorophenoxy)methyl]-6-morpholin-4-ylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CONC(=CN1C(=NN=N1)SCC2=C(N3[C@H](C(C3=O)NC(=O)C(=NOC4CCC=C4)C5=CSC(=N5)N)SC2)C(=O)O)C(=O)O

DOS

IR

Vibrations