Geometry & MOs

Info

ID:	129145
PubChem CID:	51071394
Reduced:	SN3O4C29H39 (1)
Stoich.:	AB3C4D29E39 (1)
Weight, g/mol:	395.184506
ΔH_f, kcal/mol:	-185.07
Dipole, Da:	6.97
IP(EA), eV:	-9.38(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-benzamidoethyl)-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C3CCCN(C3)S(=O)(=O)C4=C(C=C(C=C4C)C)C

DOS

IR

Vibrations