Geometry & MOs

Info

ID:	305157
PubChem CID:	124766677
Reduced:	NOCl5C16H16 (1)
Stoich.:	ABC5D16E16 (1)
Weight, g/mol:	415.11233
ΔH_f, kcal/mol:	-44.9
Dipole, Da:	3.03
IP(EA), eV:	-9.89(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(2S,3R,4R)-4-benzamido-3-methylsulfonyloxythiolan-2-yl]pentanoate

Drug info:

PubChemData

Smile

CC1([C@@H]([C@H]1C(=O)N[C@H](C2=CC=CC=C2)C(Cl)(Cl)Cl)C=C(Cl)Cl)C

DOS

IR

Vibrations