Geometry & MOs

Info

ID:	135965
PubChem CID:	51960141
Reduced:	SF2O3N4C23H24 (1)
Stoich.:	AB2C3D4E23F24 (1)
Weight, g/mol:	302.179442
ΔH_f, kcal/mol:	-180.66
Dipole, Da:	8.6
IP(EA), eV:	-8.56(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethylpyrrol-1-yl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]acetamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)[C@H](C(C)C)NC(=O)C3=C(C=CC=C3F)F

DOS

IR

Vibrations