Geometry & MOs

Info

ID:	170999
PubChem CID:	75310179
Reduced:	NO2C25H37 (1)
Stoich.:	AB2C25D37 (1)
Weight, g/mol:	510.096056
ΔH_f, kcal/mol:	-123.22
Dipole, Da:	4.81
IP(EA), eV:	-9.07(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-[[5-(dimethylcarbamoyl)-1,3-dioxolane-4-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2=CC(=O)N4CCCC4)CC=C5C3(CCC(C5)O)C

DOS

IR

Vibrations