Geometry & MOs

Info

ID:	169553
PubChem CID:	75119989
Reduced:	FO4N6C25H27 (1)
Stoich.:	AB4C6D25E27 (1)
Weight, g/mol:	510.178231
ΔH_f, kcal/mol:	-118.8
Dipole, Da:	7.87
IP(EA), eV:	-9.03(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-[2-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-5-(furan-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1C(NC(NC1=O)N2C(=CC(=N2)C3=CC=CO3)NC(=O)C4CC(=O)N(C4)C5=CC=C(C=C5)F)C

DOS

IR

Vibrations