Geometry & MOs

Info

ID:	81535
PubChem CID:	49854837
Reduced:	SN4O5C26H32 (1)
Stoich.:	AB4C5D26E32 (1)
Weight, g/mol:	463.18894
ΔH_f, kcal/mol:	-105.99
Dipole, Da:	6.16
IP(EA), eV:	-9.18(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(azocan-1-yl)-N-hydroxy-3-[[4-(pyrimidin-4-ylmethoxy)phenyl]sulfonylamino]propanamide

Drug info:

PubChemData

Smile

CCCN(C[C@@H](C(=O)NO)N1CCCC1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations