Geometry & MOs

Info

ID:	61070
PubChem CID:	26705205
Reduced:	NF2O5C21H21 (1)
Stoich.:	AB2C5D21E21 (1)
Weight, g/mol:	464.117271
ΔH_f, kcal/mol:	-254.16
Dipole, Da:	4.68
IP(EA), eV:	-9.28(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)OC(F)F

DOS

IR

Vibrations