Geometry & MOs

Info

ID:	73087
PubChem CID:	48416975
Reduced:	SO2N6H12C15 (1)
Stoich.:	AB2C6D12E15 (1)
Weight, g/mol:	378.111024
ΔH_f, kcal/mol:	31.55
Dipole, Da:	3.57
IP(EA), eV:	-9.22(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N)NC1=S

DOS

IR

Vibrations