Geometry & MOs

Info

ID:	231635
PubChem CID:	87574347
Reduced:	NOSC12H25 (1)
Stoich.:	ABCD12E25 (1)
Weight, g/mol:	390.102958
ΔH_f, kcal/mol:	-53.13
Dipole, Da:	3.49
IP(EA), eV:	-8.46(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1-sulfanylurea

Drug info:

PubChemData

Smile

CCCCCCCCNS(=O)C(C)C=C

DOS

IR

Vibrations