Geometry & MOs

Info

ID:	148304
PubChem CID:	53787966
Reduced:	OS2C9H18 (1)
Stoich.:	AB2C9D18 (1)
Weight, g/mol:	478.246772
ΔH_f, kcal/mol:	-66.58
Dipole, Da:	2.4
IP(EA), eV:	-8.64(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R,4R)-2-[(3R)-3-(2-methoxy-2-oxoethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-phenylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC(=S)CCSC(C)C

DOS

IR

Vibrations