Geometry & MOs

Info

ID:	429992
PubChem CID:	135170049
Reduced:	ClSO2N3C25H26 (1)
Stoich.:	ABC2D3E25F26 (1)
Weight, g/mol:	501.169783
ΔH_f, kcal/mol:	-17.57
Dipole, Da:	4.77
IP(EA), eV:	-8.68(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethylsulfanylphenyl)methyl]-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCSC1=CC=C(C=C1)CNC(=O)C2=CN=C(C=C2)N3CCOC[C@@H]3C4=CC=C(C=C4)Cl

DOS

IR

Vibrations