Geometry & MOs

Info

ID:	189180
PubChem CID:	77825732
Reduced:	ClSN3O4C27H32 (1)
Stoich.:	ABC3D4E27F32 (1)
Weight, g/mol:	516.148571
ΔH_f, kcal/mol:	-130.96
Dipole, Da:	5.15
IP(EA), eV:	-8.42(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[5-[(2-hydroxyphenyl)methyl]-2,3-dihydrothiophen-2-yl]methyl]-4-oxobutanamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C(C(C(=O)NCCC3CC(=CS3)CC4=CC=CC=C4)O)O

DOS

IR

Vibrations