Geometry & MOs

Info

ID:	142370
PubChem CID:	53022583
Reduced:	SO2N4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	381.143704
ΔH_f, kcal/mol:	-29.3
Dipole, Da:	6.16
IP(EA), eV:	-9.06(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[5-(1H-indol-3-yl)-1-propanoylpyrazolidin-3-ylidene]-1-methyl-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)S(=O)(=O)NCC2=NC3=C(N2CC(C)C)N=CC=C3

DOS

IR

Vibrations