Geometry & MOs

Info

ID:	348779
PubChem CID:	127273890
Reduced:	SO3N5C17H21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	368.14193
ΔH_f, kcal/mol:	-60.33
Dipole, Da:	3.35
IP(EA), eV:	-8.56(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]urea

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)NC3=CC4=C(C=C3SC)OCCO4

DOS

IR

Vibrations