Geometry & MOs

Info

ID:	175773
PubChem CID:	75945502
Reduced:	SO3N6C19H20 (1)
Stoich.:	AB3C6D19E20 (1)
Weight, g/mol:	441.226371
ΔH_f, kcal/mol:	-10.06
Dipole, Da:	6.15
IP(EA), eV:	-9.3(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,5-trimethoxy-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NN=C2N1C=CC=C2)NC(=O)C3=C4C=CC=CN4C(=N3)S(=O)(=O)C

DOS

IR

Vibrations