Geometry & MOs

Info

ID:	127113
PubChem CID:	50991121
Reduced:	SN5O5C34H39 (1)
Stoich.:	AB5C5D34E39 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	-103.78
Dipole, Da:	10.49
IP(EA), eV:	-9.26(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-hydroxy-3-[4-[(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)methyl]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCCC1=C(C(=O)N(C(=N1)C(C)C)C2=NC=C(C=N2)OCC)CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)C5CC5

DOS

IR

Vibrations