Geometry & MOs

Info

ID:	245520
PubChem CID:	99453656
Reduced:	SN3O3C26H29 (1)
Stoich.:	AB3C3D26E29 (1)
Weight, g/mol:	379.153206
ΔH_f, kcal/mol:	-57.2
Dipole, Da:	4.0
IP(EA), eV:	-8.92(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[2-(4-cyano-2-methoxyphenoxy)acetyl]-N-phenylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)N2C[C@@H](C3=CC=CC=C3C2)C4=CC=CC=C4)S(=O)(=O)N5CCCCC5

DOS

IR

Vibrations