Geometry & MOs

Info

ID:	325907
PubChem CID:	126685505
Reduced:	ClS2F4N5O5C30H32 (1)
Stoich.:	AB2C4D5E5F30G32 (1)
Weight, g/mol:	340.118985
ΔH_f, kcal/mol:	-335.43
Dipole, Da:	4.45
IP(EA), eV:	-8.89(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(1S)-1-amino-2-methoxy-2-oxoethyl]-4-(4-chlorophenyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)N[C@@H]([C@@H](C1=CC=C(C=C1)Cl)C2=CSC(=N2)C(F)(F)F)C(=O)NC3=C(C(=CC=C3)F)CCC4CN[C@@H]5CCCS(=O)(=O)N4C5

DOS

IR

Vibrations