Geometry & MOs

Info

ID:	154339
PubChem CID:	56313755
Reduced:	O4N5C18H21 (1)
Stoich.:	A4B5C18D21 (1)
Weight, g/mol:	438.158884
ΔH_f, kcal/mol:	-53.13
Dipole, Da:	11.78
IP(EA), eV:	-8.92(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-methylsulfanyl-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)NC2=NNC(=N2)C3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations