Geometry & MOs

Info

ID:	148773
PubChem CID:	53788442
Reduced:	SN3O4H19C20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	530.208673
ΔH_f, kcal/mol:	-92.4
Dipole, Da:	4.23
IP(EA), eV:	-9.12(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl)methyl 4-[(4-methoxyphenyl)methylsulfanyl]-2-[(2R)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CN1C(NC(=O)C2=CC=CC=C21)COC3=CC=C(C=C3)CC4=C(NC(=O)S4)O

DOS

IR

Vibrations