Geometry & MOs

Info

ID:	57992
PubChem CID:	24398149
Reduced:	OSN2C18H20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	485.144299
ΔH_f, kcal/mol:	0.41
Dipole, Da:	4.25
IP(EA), eV:	-8.7(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3CCC=CC3)C

DOS

IR

Vibrations