Geometry & MOs

Info

ID:	169669
PubChem CID:	75135148
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	439.18894
ΔH_f, kcal/mol:	-107.59
Dipole, Da:	5.74
IP(EA), eV:	-9.51(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]-N-methyl-3-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(=O)N1)CCC(=O)NC(CC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations