Geometry & MOs

Info

ID:	139378
PubChem CID:	52519977
Reduced:	SN2O4C17H26 (1)
Stoich.:	AB2C4D17E26 (1)
Weight, g/mol:	381.10519
ΔH_f, kcal/mol:	-150.66
Dipole, Da:	7.01
IP(EA), eV:	-8.95(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(3-bromophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N(C)CC2=CC=CC=C2OC

DOS

IR

Vibrations