Geometry & MOs

Info

ID:	167245
PubChem CID:	74797711
Reduced:	SO5N6C24H30 (1)
Stoich.:	AB5C6D24E30 (1)
Weight, g/mol:	512.184189
ΔH_f, kcal/mol:	-112.34
Dipole, Da:	4.29
IP(EA), eV:	-9.0(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-(furan-2-yl)pyrazol-3-yl]-4-pyrrolidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CCC1CC(=O)NC(N1)N2C(=CC(=N2)C3=CC=CO3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N(CC)CC

DOS

IR

Vibrations