Geometry & MOs

Info

ID:	81062
PubChem CID:	49854304
Reduced:	BrO2N5H18C20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	433.167142
ΔH_f, kcal/mol:	60.69
Dipole, Da:	5.28
IP(EA), eV:	-8.72(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-hydroxy-3-[(4-phenylmethoxyphenyl)sulfonylamino]-2-piperidin-1-ylpropanamide

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=C(C=C(C=C2)C3=NN=C(O3)NCC4=CC=C(C=C4)Br)OC

DOS

IR

Vibrations