Geometry & MOs

Info

ID:	84379
PubChem CID:	49866106
Reduced:	FN2O4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	628.015162
ΔH_f, kcal/mol:	-129.46
Dipole, Da:	3.87
IP(EA), eV:	-8.68(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)F)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations