Geometry & MOs

Info

ID:	242891
PubChem CID:	99213645
Reduced:	BrNO4C21H24 (1)
Stoich.:	ABC4D21E24 (1)
Weight, g/mol:	444.171893
ΔH_f, kcal/mol:	-133.37
Dipole, Da:	6.16
IP(EA), eV:	-8.53(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CCOC2=CC=C(C=C2)Br)OC[C@H]3CCCO3

DOS

IR

Vibrations