Geometry & MOs

Info

ID:	165985
PubChem CID:	74621735
Reduced:	SO3N5C21H34 (1)
Stoich.:	AB3C5D21E34 (1)
Weight, g/mol:	444.181585
ΔH_f, kcal/mol:	-74.1
Dipole, Da:	4.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755094
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CCC(CNC(=O)CCC1=NC2=C(N1C)C=CC(=C2)S(=O)(=O)N(C)C)[NH+]3CCCC3

DOS

IR

Vibrations