Geometry & MOs

Info

ID:	47226
PubChem CID:	10530754
Reduced:	O5N9C26H35 (1)
Stoich.:	A5B9C26D35 (1)
Weight, g/mol:	553.122895
ΔH_f, kcal/mol:	-154.43
Dipole, Da:	7.01
IP(EA), eV:	-8.91(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[(4-methylphenyl)sulfonyloxymethyl]-4-phenylmethoxypyridin-2-yl]methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=C(NC(=O)N1)C(=O)C2=CC=C(C=C2)NC(=O)NCCNC(=NCCCC3=CN=CN3)NC(=O)OC(C)(C)C

DOS

IR

Vibrations