Geometry & MOs

Info

ID:	84366
PubChem CID:	49866048
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	565.047727
ΔH_f, kcal/mol:	-49.44
Dipole, Da:	4.96
IP(EA), eV:	-7.82(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)C2=NNC(C2)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations