Geometry & MOs

Info

ID:	120853
PubChem CID:	50746936
Reduced:	SO3N5C18H21 (1)
Stoich.:	AB3C5D18E21 (1)
Weight, g/mol:	378.114648
ΔH_f, kcal/mol:	-2.27
Dipole, Da:	5.51
IP(EA), eV:	-9.27(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C2=CC=C(C=C2)OCC(=O)NC3=NN=C(S3)CC(C)C

DOS

IR

Vibrations