Geometry & MOs

Info

ID:	84333
PubChem CID:	49865894
Reduced:	N2O4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	522.096057
ΔH_f, kcal/mol:	-73.14
Dipole, Da:	5.28
IP(EA), eV:	-8.27(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CC(=NN2)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations