Geometry & MOs

Info

ID:	196380
PubChem CID:	78817633
Reduced:	SO2N4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	402.224261
ΔH_f, kcal/mol:	-60.99
Dipole, Da:	3.07
IP(EA), eV:	-9.1(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]piperazin-1-yl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN(C)CC(=O)NCCC1=NC2=CC=CC=C2S1

DOS

IR

Vibrations