Geometry & MOs

Info

ID:	138772
PubChem CID:	52424021
Reduced:	SO3N4C21H24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	435.107519
ΔH_f, kcal/mol:	-59.5
Dipole, Da:	9.44
IP(EA), eV:	-9.37(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)NC(C)C)[C@H]4CCS(=O)(=O)C4

DOS

IR

Vibrations