Geometry & MOs

Info

ID:	62806
PubChem CID:	26736953
Reduced:	ClSO3N4C23H27 (1)
Stoich.:	ABC3D4E23F27 (1)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	-51.25
Dipole, Da:	6.65
IP(EA), eV:	-8.27(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3,4-dimethoxyphenyl)-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCCN1C(=NN(C1=S)CCC(=O)NC2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations