Geometry & MOs

Info

ID:	81722
PubChem CID:	49855053
Reduced:	SN5O5C28H35 (1)
Stoich.:	AB5C5D28E35 (1)
Weight, g/mol:	486.193691
ΔH_f, kcal/mol:	-89.48
Dipole, Da:	4.38
IP(EA), eV:	-9.04(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-hydroxy-3-[[4-[(2-methyl-1H-indol-3-yl)methoxy]phenyl]sulfonylamino]-2-piperidin-1-ylpropanamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)COC2=CC=C(C=C2)S(=O)(=O)NC[C@@H](C(=O)NO)N3CCC(CC3)NCC4=CC=CC=C4

DOS

IR

Vibrations