Geometry & MOs

Info

ID:	156432
PubChem CID:	56370579
Reduced:	SO2N5C19H25 (1)
Stoich.:	AB2C5D19E25 (1)
Weight, g/mol:	453.262757
ΔH_f, kcal/mol:	-35.23
Dipole, Da:	5.16
IP(EA), eV:	-8.23(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]-4-propoxybenzamide

Drug info:

PubChemData

Smile

CCC1=C(SN=N1)C(=O)NC(C)CC(=O)NC2=CC(=CC=C2)N3CCCC3

DOS

IR

Vibrations