Geometry & MOs

Info

ID:	49713
PubChem CID:	11533634
Reduced:	ClFOSN6C25H28 (1)
Stoich.:	ABCDE6F25G28 (1)
Weight, g/mol:	515.153322
ΔH_f, kcal/mol:	-10.47
Dipole, Da:	4.21
IP(EA), eV:	-8.74(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-[[2-[5-(3-chloro-1-benzothiophen-2-yl)-3-hydroxypentyl]-5-oxopyrrolidin-1-yl]methyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CCCSN1CCC(CC1)NC2=NC=CC(=N2)N(C3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4Cl

DOS

IR

Vibrations