Geometry & MOs

Info

ID:	140126
PubChem CID:	52651902
Reduced:	N3O3C27H29 (1)
Stoich.:	A3B3C27D29 (1)
Weight, g/mol:	400.152203
ΔH_f, kcal/mol:	-57.82
Dipole, Da:	5.23
IP(EA), eV:	-7.54(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-[(2S)-2-(3-propan-2-ylphenoxy)propanoyl]oxybenzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)[C@H]3CC4=CC=CC=C4O3)C(C)C

DOS

IR

Vibrations