Geometry & MOs

Info

ID:	237028
PubChem CID:	92716943
Reduced:	BrO2N3H16C19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	494.127836
ΔH_f, kcal/mol:	-18.25
Dipole, Da:	2.99
IP(EA), eV:	-9.07(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)Br)[C@H](C1=O)CC3=NC4=CC=CC=C4C(=O)N3C

DOS

IR

Vibrations