Geometry & MOs

Info

ID:	187900
PubChem CID:	77640507
Reduced:	ClSN3O5C22H28 (1)
Stoich.:	ABC3D5E22F28 (1)
Weight, g/mol:	386.205301
ΔH_f, kcal/mol:	-172.9
Dipole, Da:	7.45
IP(EA), eV:	-9.26(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[3-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxypyrrolidine-1-carbonyl]amino]-4-oxopentanoate

Drug info:

PubChemData

Smile

C1C(CNC1C=CCCCC(=O)O)C(C2=CN=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl.O

DOS

IR

Vibrations