Geometry & MOs

Info

ID:	397383
PubChem CID:	135030136
Reduced:	NSO4C22H27 (1)
Stoich.:	ABC4D22E27 (1)
Weight, g/mol:	436.173332
ΔH_f, kcal/mol:	-113.72
Dipole, Da:	8.6
IP(EA), eV:	-9.11(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-[2-[2,6-bis(methoxymethoxy)phenyl]-3,6-dimethoxyphenyl]-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC=CC(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations