Geometry & MOs

Info

ID:	140440
PubChem CID:	52697824
Reduced:	BrNO2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	462.138006
ΔH_f, kcal/mol:	-35.32
Dipole, Da:	3.99
IP(EA), eV:	-8.56(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[2-[[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]sulfanylpropanoate

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2N1C(=O)CCC3=CC=CC=C3Br

DOS

IR

Vibrations