Geometry & MOs

Info

ID:	166369
PubChem CID:	74678436
Reduced:	S2O4N5C20H22 (1)
Stoich.:	A2B4C5D20E22 (1)
Weight, g/mol:	392.140593
ΔH_f, kcal/mol:	13.9
Dipole, Da:	7.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.111539
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(ethylsulfamoyl)phenyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC=NC(=C12)NN=C(C)C3=CC=C(C=C3)S(=O)(=O)NCCCC(=O)[O-])C

DOS

IR

Vibrations