Geometry & MOs

Info

ID:	68316
PubChem CID:	46508177
Reduced:	N5O6C22H23 (1)
Stoich.:	A5B6C22D23 (1)
Weight, g/mol:	410.151158
ΔH_f, kcal/mol:	-100.17
Dipole, Da:	9.12
IP(EA), eV:	-9.03(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 1-hydroxycyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N)[N+](=O)[O-]

DOS

IR

Vibrations