Geometry & MOs

Info

ID:	81636
PubChem CID:	49854949
Reduced:	ClON4H17C18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	477.193357
ΔH_f, kcal/mol:	56.28
Dipole, Da:	5.05
IP(EA), eV:	-8.3(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-hydroxy-3-[[4-[(3-methylphenyl)methoxy]phenyl]sulfonylamino]-2-(1,4-oxazocan-4-yl)propanamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C(=O)N/N=C/C2=CC3=C(C=C2)NC=C3Cl

DOS

IR

Vibrations