Geometry & MOs

Info

ID:	81640
PubChem CID:	49854953
Reduced:	SN5O5C27H35 (1)
Stoich.:	AB5C5D27E35 (1)
Weight, g/mol:	499.18894
ΔH_f, kcal/mol:	-110.91
Dipole, Da:	9.06
IP(EA), eV:	-9.24(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(3-aminopyrrolidin-1-yl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide

Drug info:

PubChemData

Smile

CCNC1CCN(CC1)[C@@H](CNS(=O)(=O)C2=CC=C(C=C2)OCC3=CC(=NC4=CC=CC=C43)C)C(=O)NO

DOS

IR

Vibrations