Geometry & MOs

Info

ID:	136964
PubChem CID:	52131526
Reduced:	ClNSO3H16C21 (1)
Stoich.:	ABCD3E16F21 (1)
Weight, g/mol:	368.129156
ΔH_f, kcal/mol:	-14.17
Dipole, Da:	3.64
IP(EA), eV:	-8.78(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N(CC2=CC=CS2)C(=O)C3=CC4=C(O3)C(=CC=C4)Cl

DOS

IR

Vibrations