Geometry & MOs

Info

ID:	154981
PubChem CID:	56314541
Reduced:	ClON2S2C21H25 (1)
Stoich.:	ABC2D2E21F25 (1)
Weight, g/mol:	439.138819
ΔH_f, kcal/mol:	-21.48
Dipole, Da:	3.25
IP(EA), eV:	-8.48(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2CCSCC2)NC(=O)C(C)SC3=CC=C(C=C3)Cl

DOS

IR

Vibrations