Geometry & MOs

Info

ID:	60768
PubChem CID:	26701979
Reduced:	SN3O6C19H23 (1)
Stoich.:	AB3C6D19E23 (1)
Weight, g/mol:	370.152872
ΔH_f, kcal/mol:	-130.59
Dipole, Da:	9.3
IP(EA), eV:	-9.4(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethoxy-3-nitrophenyl)-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCCNS(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-]

DOS

IR

Vibrations