Geometry & MOs

Info

ID:	81343
PubChem CID:	49854623
Reduced:	SN5O5C23H29 (1)
Stoich.:	AB5C5D23E29 (1)
Weight, g/mol:	484.178041
ΔH_f, kcal/mol:	-92.45
Dipole, Da:	6.65
IP(EA), eV:	-9.15(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2C=CC=CC2=C1COC3=CC=C(C=C3)S(=O)(=O)NC[C@@H](C(=O)NO)N4CCCCC4

DOS

IR

Vibrations