Geometry & MOs

Info

ID:	53340
PubChem CID:	14710508
Reduced:	NSO2C15H16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	540.196394
ΔH_f, kcal/mol:	39.19
Dipole, Da:	1.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756247
Charge, e:	0

Chem-info

IUPAC name:

N-[2,10-dihydroxy-11-[(4-methylphenyl)sulfonylamino]-6-oxoundecyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C[C@H]1[C@]2(O1)C[C@@]([C@H]3[C@H]2O3)(N=[CH])SC4=CC=C(C=C4)C

DOS

IR

Vibrations