Geometry & MOs

Info

ID:	63572
PubChem CID:	26758656
Reduced:	NF3O5H18C20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	442.136257
ΔH_f, kcal/mol:	-319.05
Dipole, Da:	3.62
IP(EA), eV:	-9.31(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1OC(F)F)OC(=O)CCC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations