Geometry & MOs

Info

ID:	225707
PubChem CID:	87225380
Reduced:	SBr2N3O6C30H33 (1)
Stoich.:	AB2C3D6E30F33 (1)
Weight, g/mol:	723.04363
ΔH_f, kcal/mol:	-190.15
Dipole, Da:	4.77
IP(EA), eV:	-9.0(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,5-dibromo-4-[3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propylcarbamoyl]phenyl]methyl methanesulfonate

Drug info:

PubChemData

Smile

CN(CCN1CCC(CC1)OC(=O)NC2=CC=CC=C2C3=CC=CC=C3)C(=O)C4=C(C=C(C(=C4)Br)COS(=O)(=O)C)Br

DOS

IR

Vibrations