Geometry & MOs

Info

ID:	416002
PubChem CID:	135089007
Reduced:	N3O4C20H27 (1)
Stoich.:	A3B4C20D27 (1)
Weight, g/mol:	396.091056
ΔH_f, kcal/mol:	-163.36
Dipole, Da:	1.81
IP(EA), eV:	-8.82(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-ethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3(CCN(CC3)C(=O)[C@@H]4CCCN4C(=O)N)OCC2

DOS

IR

Vibrations