Geometry & MOs

Info

ID:	449267
PubChem CID:	135297254
Reduced:	ClN2O3H33C37 (1)
Stoich.:	AB2C3D33E37 (1)
Weight, g/mol:	519.171559
ΔH_f, kcal/mol:	13.5
Dipole, Da:	4.11
IP(EA), eV:	-8.69(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hydroxymethyl 4-[4-[(2E)-2-benzoyloxyiminooctanoyl]phenyl]sulfanylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)NOCCNC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

DOS

IR

Vibrations