Geometry & MOs

Info

ID:	424916
PubChem CID:	135124444
Reduced:	SO4N7C36H41 (1)
Stoich.:	AB4C7D36E41 (1)
Weight, g/mol:	264.033541
ΔH_f, kcal/mol:	-28.53
Dipole, Da:	10.83
IP(EA), eV:	-9.22(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(2R)-2-hydroxybutyl]pyridine-3-sulfonamide

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2O1)CC3=C(C=CC(=C3)[C@@H](C4=C(C5=C(C=C4)N(N=N5)CC)C)C(C)(C)C(=O)NC6=CN=CN=C6)C

DOS

IR

Vibrations