Geometry & MOs

Info

ID:	156490
PubChem CID:	56370824
Reduced:	SO3N4C22H28 (1)
Stoich.:	AB3C4D22E28 (1)
Weight, g/mol:	421.272927
ΔH_f, kcal/mol:	-106.38
Dipole, Da:	3.38
IP(EA), eV:	-8.01(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]-5-phenylpentanamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C3=CC=C(S3)CNC(=O)C

DOS

IR

Vibrations