Geometry & MOs

Info

ID:	217867
PubChem CID:	85088510
Reduced:	SN3O4H17C21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	411.18413
ΔH_f, kcal/mol:	-50.27
Dipole, Da:	7.83
IP(EA), eV:	-9.4(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]methyl]-3-pyrazolidin-3-ylurea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=C2C(=NN(C2=O)S(=O)(=O)C3=C4C=CC=NC4=C(C=C3)O)C

DOS

IR

Vibrations