Geometry & MOs

Info

ID:	140751
PubChem CID:	52752416
Reduced:	SO2N5H21C26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	469.190952
ΔH_f, kcal/mol:	58.97
Dipole, Da:	2.69
IP(EA), eV:	-9.28(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[2-[(2-tert-butyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]sulfonyl-(4-piperidin-1-ylphenyl)azanide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=CC3=C(C=C2)N=CN3)C(=O)C4=CC=CC=C4SC5=CC=CC=C5C#N

DOS

IR

Vibrations