Geometry & MOs

Info

ID:	135347
PubChem CID:	51856366
Reduced:	NSO5C23H25 (1)
Stoich.:	ABC5D23E25 (1)
Weight, g/mol:	314.118591
ΔH_f, kcal/mol:	-157.46
Dipole, Da:	3.62
IP(EA), eV:	-9.41(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-chlorophenyl)-N-(3-methylphenyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCC[C@H]3C4=CC=CC(=C4)C)C

DOS

IR

Vibrations