Geometry & MOs

Info

ID:	314801
PubChem CID:	126623274
Reduced:	BrO3N4C17H23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	489.169999
ΔH_f, kcal/mol:	-93.69
Dipole, Da:	5.04
IP(EA), eV:	-9.2(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-acetyl-1-[2-[(2S,4R)-2-(benzylcarbamoyl)-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]prop-2-ynoic acid

Drug info:

PubChemData

Smile

CCCCOC(=O)N1C(CC2(C1C2)CN)C(=O)NC3=NC(=CC=C3)Br

DOS

IR

Vibrations