Geometry & MOs

Info

ID:	167244
PubChem CID:	74797578
Reduced:	O4N5C22H25 (1)
Stoich.:	A4B5C22D25 (1)
Weight, g/mol:	514.199839
ΔH_f, kcal/mol:	-75.81
Dipole, Da:	7.28
IP(EA), eV:	-8.91(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(=O)NC(N1)N2C(=CC(=N2)C3=CC=CO3)NC(=O)CCC4=CC=C(C=C4)OC

DOS

IR

Vibrations