Geometry & MOs

Info

ID:	186407
PubChem CID:	77427449
Reduced:	FO2N8C32H43 (1)
Stoich.:	AB2C8D32E43 (1)
Weight, g/mol:	538.94728
ΔH_f, kcal/mol:	-30.37
Dipole, Da:	9.99
IP(EA), eV:	-8.56(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[4-(3-bromo-2-oxopyridin-1-yl)-3-chlorophenyl]-5-oxopyrrolidin-3-yl]methyl]-5-chlorothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C=C(CN1CCC(C1)C(=O)NC2CCC3C(C2)C(NN3)C4=CC=C(C=C4)F)N5CCN(CC5)C6=CC=C(C=C6)C(=O)NN

DOS

IR

Vibrations