Geometry & MOs

Info

ID:	68887
PubChem CID:	46511223
Reduced:	ClOSN2C14H15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	445.18577
ΔH_f, kcal/mol:	-11.85
Dipole, Da:	2.79
IP(EA), eV:	-9.05(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=NC(=CS1)C2=CC=CC=C2Cl

DOS

IR

Vibrations