Geometry & MOs

Info

ID:	44735
PubChem CID:	10505672
Reduced:	SeO2C29H44 (1)
Stoich.:	AB2C29D44 (1)
Weight, g/mol:	503.267173
ΔH_f, kcal/mol:	-103.13
Dipole, Da:	6.12
IP(EA), eV:	-7.89(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,4R)-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-4-phenylmethoxypyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C/C=C/C(=C/C(=O)C(C)(C)C)/CC(=O)C(C)(C)C)C=C([Se]1)C(C)(C)C

DOS

IR

Vibrations