Geometry & MOs

Info

ID:	63576
PubChem CID:	26758663
Reduced:	FNO5H20C21 (1)
Stoich.:	ABC5D20E21 (1)
Weight, g/mol:	392.084221
ΔH_f, kcal/mol:	-219.87
Dipole, Da:	2.85
IP(EA), eV:	-9.21(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)CCC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations