Geometry & MOs

Info

ID:	88805
PubChem CID:	49956882
Reduced:	BrSO3N4C26H33 (1)
Stoich.:	ABC3D4E26F33 (1)
Weight, g/mol:	384.204907
ΔH_f, kcal/mol:	-82.43
Dipole, Da:	3.19
IP(EA), eV:	-8.71(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxypropyl)-3-[2-(3-methylphenoxy)butanoylamino]benzamide

Drug info:

PubChemData

Smile

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCN(CC3)C

DOS

IR

Vibrations