Geometry & MOs

Info

ID:	237655
PubChem CID:	92720233
Reduced:	SN3O3C23H27 (1)
Stoich.:	AB3C3D23E27 (1)
Weight, g/mol:	482.241687
ΔH_f, kcal/mol:	-60.67
Dipole, Da:	4.01
IP(EA), eV:	-8.36(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (2S,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=CC(=C1)OC)OC)SC2=NC=CN2C3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations