Geometry & MOs

Info

ID:	392340
PubChem CID:	135014593
Reduced:	NSO3C21H25 (1)
Stoich.:	ABC3D21E25 (1)
Weight, g/mol:	414.240624
ΔH_f, kcal/mol:	-56.35
Dipole, Da:	6.08
IP(EA), eV:	-9.02(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R,6S)-5,6-dihydroxy-4,11-bis(phenylmethoxy)undecanal

Drug info:

PubChemData

Smile

CCOC(=C)C(=C)C(C1=CC=CC=C1)C(N)S(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations