Geometry & MOs

Info

ID:	348773
PubChem CID:	127273884
Reduced:	O3N6C19H22 (1)
Stoich.:	A3B6C19D22 (1)
Weight, g/mol:	370.157581
ΔH_f, kcal/mol:	-78.22
Dipole, Da:	4.16
IP(EA), eV:	-8.91(-0.44)
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-(2-propan-2-yl-1,3-benzothiazol-6-yl)urea

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)NC3=CC=CC=C3CN4C(=O)CCC4=O

DOS

IR

Vibrations