Geometry & MOs

Info

ID:	63993
PubChem CID:	26759638
Reduced:	S2N3O4C21H25 (1)
Stoich.:	A2B3C4D21E25 (1)
Weight, g/mol:	457.167142
ΔH_f, kcal/mol:	-138.73
Dipole, Da:	0.96
IP(EA), eV:	-8.85(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C[C@@H]2C(=O)NC3=CC=CC=C3S2)C

DOS

IR

Vibrations