Geometry & MOs

Info

ID:	348775
PubChem CID:	127273886
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	368.14193
ΔH_f, kcal/mol:	-56.42
Dipole, Da:	3.96
IP(EA), eV:	-8.87(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCC(C1)OCC2=CC(=CC=C2)NC(=O)NC3CCC4=NC(=NN4C3)C

DOS

IR

Vibrations