Geometry & MOs

Info

ID:	314802
PubChem CID:	126623275
Reduced:	FN3O5H24C27 (1)
Stoich.:	AB3C5D24E27 (1)
Weight, g/mol:	539.152635
ΔH_f, kcal/mol:	-138.23
Dipole, Da:	13.17
IP(EA), eV:	-9.25(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-acetyl-1-[2-[(4R)-2-[2-(benzenesulfonamido)ethyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]prop-2-ynoic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)C#CC(=O)O)CC(=O)N3C[C@@H](C[C@H]3C(=O)NCC4=CC=CC=C4)F

DOS

IR

Vibrations