Geometry & MOs

Info

ID:	140132
PubChem CID:	52652283
Reduced:	N2Cl3O3C20H21 (1)
Stoich.:	A2B3C3D20E21 (1)
Weight, g/mol:	473.234828
ΔH_f, kcal/mol:	-118.77
Dipole, Da:	5.57
IP(EA), eV:	-9.1(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(adamantane-1-carbonyl)-N-[2-(benzylsulfamoyl)ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)[C@@H](C)OC2=C(C=CC(=C2)C)Cl

DOS

IR

Vibrations