Geometry & MOs

Info

ID:	221351
PubChem CID:	85267806
Reduced:	BrN2O4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	407.115107
ΔH_f, kcal/mol:	-77.55
Dipole, Da:	8.27
IP(EA), eV:	-8.4(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl-(4-nitrophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N(C2=CC=C(C=C2)OC)N=CC(=O)OCCBr

DOS

IR

Vibrations