Geometry & MOs

Info

ID:	187898
PubChem CID:	77640394
Reduced:	ClON2F3C21H22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	435.101955
ΔH_f, kcal/mol:	-179.55
Dipole, Da:	4.49
IP(EA), eV:	-9.12(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(azetidin-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CC1(CCCCN1)C(C2=CC=CC=C2)NC(=O)C3=C(C(=CC=C3)C(F)(F)F)Cl

DOS

IR

Vibrations