Geometry & MOs

Info

ID:	155952
PubChem CID:	56368470
Reduced:	SN3O4C22H29 (1)
Stoich.:	AB3C4D22E29 (1)
Weight, g/mol:	479.161184
ΔH_f, kcal/mol:	-134.54
Dipole, Da:	7.38
IP(EA), eV:	-8.42(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-chloroanilino)-4-oxobutyl]-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)N3CCCS3(=O)=O)O)C(C)C

DOS

IR

Vibrations