Geometry & MOs

Info

ID:	395653
PubChem CID:	135026121
Reduced:	NOH17C21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	491.122501
ΔH_f, kcal/mol:	46.62
Dipole, Da:	2.38
IP(EA), eV:	-7.92(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(S)-[(2R,3R,4R)-1-methyl-5-oxo-3-phenyl-4-phenylsulfanylcarbothioyloxypyrrolidin-2-yl]-phenylmethyl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C4=CC=CC=C4O

DOS

IR

Vibrations