Geometry & MOs

Info

ID:	61435
PubChem CID:	26709389
Reduced:	S2N3O4C24H27 (1)
Stoich.:	A2B3C4D24E27 (1)
Weight, g/mol:	457.112999
ΔH_f, kcal/mol:	-97.49
Dipole, Da:	5.67
IP(EA), eV:	-8.53(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)C4=CSC(=N4)C)OC

DOS

IR

Vibrations