Geometry & MOs

Info

ID:	367993
PubChem CID:	127326375
Reduced:	SO2N6C15H18 (1)
Stoich.:	AB2C6D15E18 (1)
Weight, g/mol:	386.152495
ΔH_f, kcal/mol:	-19.71
Dipole, Da:	1.24
IP(EA), eV:	-8.76(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(=O)NCC2=C(C3=C(N=C2C)N(NC3=O)C)C

DOS

IR

Vibrations