Geometry & MOs

Info

ID:	135799
PubChem CID:	51937896
Reduced:	SO2N4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	376.162077
ΔH_f, kcal/mol:	0.78
Dipole, Da:	5.32
IP(EA), eV:	-8.6(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CN1C=CN=C1SC2=CC=C(C=C2)NC(=O)[C@H]3CC(=O)N(C3)C4=CC=CC=C4

DOS

IR

Vibrations