Geometry & MOs

Info

ID:	222633
PubChem CID:	85305657
Reduced:	ISO5C11H13 (1)
Stoich.:	ABC5D11E13 (1)
Weight, g/mol:	384.168522
ΔH_f, kcal/mol:	-153.95
Dipole, Da:	2.91
IP(EA), eV:	-8.8(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-carboxy-4-[methyl(phenylmethoxycarbonyl)amino]butyl]-1-phenylmethanimine oxide

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C=CCO)I)OS(=O)(=O)C

DOS

IR

Vibrations