Geometry & MOs

Info

ID:	444787
PubChem CID:	135263544
Reduced:	N2O5C29H30 (1)
Stoich.:	A2B5C29D30 (1)
Weight, g/mol:	486.215472
ΔH_f, kcal/mol:	-137.93
Dipole, Da:	10.29
IP(EA), eV:	-8.67(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[[(2S,3S)-4-[4-(1-benzofuran-2-yl)phenoxy]-3-methylbutan-2-yl]amino]benzoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)C(COC1=CC=C(C=C1)C2=CC3=CC=CC=C3O2)NC4=CC=C(C=C4)C(=O)NCCC(=O)O

DOS

IR

Vibrations