Geometry & MOs

Info

ID:	63573
PubChem CID:	26758657
Reduced:	FSN2O4C23H23 (1)
Stoich.:	ABC2D4E23F23 (1)
Weight, g/mol:	442.136257
ΔH_f, kcal/mol:	-167.86
Dipole, Da:	4.45
IP(EA), eV:	-8.53(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-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=C(C2=C(S1)CCCCC2)C#N)OC(=O)CCC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations