Geometry & MOs

Info

ID:	394678
PubChem CID:	135023493
Reduced:	OC14H22 (1)
Stoich.:	AB14C22 (1)
Weight, g/mol:	399.150429
ΔH_f, kcal/mol:	-50.11
Dipole, Da:	2.08
IP(EA), eV:	-9.58(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S,4R)-4-[(E)-2-(benzenesulfonyl)ethenyl]-1-benzylpyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(=C)C1CCC2(CC=CC2(C1)CO)C

DOS

IR

Vibrations