Geometry & MOs

Info

ID:	135434
PubChem CID:	51870220
Reduced:	SN2O2C21H32 (1)
Stoich.:	AB2C2D21E32 (1)
Weight, g/mol:	377.21147
ΔH_f, kcal/mol:	-107.23
Dipole, Da:	7.57
IP(EA), eV:	-9.04(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[(2S)-3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCN(CC1)C(=O)C2=CC3=C(S2)CC[C@H](C3)C(C)(C)C

DOS

IR

Vibrations