Geometry & MOs

Info

ID:	175443
PubChem CID:	75906497
Reduced:	ClSN2O3C20H25 (1)
Stoich.:	ABC2D3E20F25 (1)
Weight, g/mol:	472.239579
ΔH_f, kcal/mol:	-116.49
Dipole, Da:	4.18
IP(EA), eV:	-9.46(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(adamantane-1-carbonyl)-N-(3-benzylsulfonylpropyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NC(CCC(C)C)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations