Geometry & MOs

Info

ID:	186408
PubChem CID:	77427553
Reduced:	BrSCl2N3O3H16C21 (1)
Stoich.:	ABC2D3E3F16G21 (1)
Weight, g/mol:	485.117605
ΔH_f, kcal/mol:	-53.26
Dipole, Da:	7.64
IP(EA), eV:	-8.9(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[[1-[4-[3-(2-hydroxyethyl)-2-oxopyridin-1-yl]-3-methylphenyl]-5-oxopyrrolidin-3-yl]methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1C(CN(C1=O)C2=CC(=C(C=C2)N3C=CC=C(C3=O)Br)Cl)CNC(=O)C4=CC=C(S4)Cl

DOS

IR

Vibrations