Geometry & MOs

Info

ID:	162987
PubChem CID:	57581238
Reduced:	SN2O3H26C28 (1)
Stoich.:	AB2C3D26E28 (1)
Weight, g/mol:	468.150764
ΔH_f, kcal/mol:	-34.17
Dipole, Da:	5.75
IP(EA), eV:	-8.69(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-benzyl-4-phenyl-1,3-thiazol-2-yl)-4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)CCC(=O)NC2=NC(=C(S2)CC3=CC=CC=C3)C4=CC=CC=C4)OC

DOS

IR

Vibrations