Geometry & MOs

Info

ID:	162986
PubChem CID:	57581235
Reduced:	NSO3H27C29 (1)
Stoich.:	ABC3D27E29 (1)
Weight, g/mol:	470.166414
ΔH_f, kcal/mol:	-36.55
Dipole, Da:	3.42
IP(EA), eV:	-8.68(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-benzyl-4-phenyl-1,3-thiazol-2-yl)-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C(=O)CCC(=O)NC2=CC(=C(S2)CC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations