Geometry & MOs

Info

ID:	46225
PubChem CID:	10523374
Reduced:	NO7C19H19 (1)
Stoich.:	AB7C19D19 (1)
Weight, g/mol:	373.109627
ΔH_f, kcal/mol:	-255.29
Dipole, Da:	3.82
IP(EA), eV:	-9.26(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[4-(4-cyanophenyl)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)O)C(=O)C3=C(C(=C(C=C3C2=O)O)N(CCO)CCO)O

DOS

IR

Vibrations