Geometry & MOs

Info

ID:	162549
PubChem CID:	57395026
Reduced:	SBr2N2O3C19H26 (1)
Stoich.:	AB2C2D3E19F26 (1)
Weight, g/mol:	632.276548
ΔH_f, kcal/mol:	-126.79
Dipole, Da:	4.46
IP(EA), eV:	-8.82(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[[5-(2-acetamidoethyl)-2-chlorophenyl]methyl]-N-cyclopropyl-6-oxo-1-[4-(3-phenylmethoxypropoxy)phenyl]piperazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)Br)Br

DOS

IR

Vibrations