Geometry & MOs

Info

ID:	61776
PubChem CID:	26712808
Reduced:	BrSN3O4C20H22 (1)
Stoich.:	ABC3D4E20F22 (1)
Weight, g/mol:	485.09502
ΔH_f, kcal/mol:	-113.22
Dipole, Da:	7.95
IP(EA), eV:	-9.06(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/S(=O)(=O)NCC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C

DOS

IR

Vibrations