Geometry & MOs

Info

ID:	305934
PubChem CID:	124975169
Reduced:	O2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	513.287909
ΔH_f, kcal/mol:	-70.84
Dipole, Da:	6.69
IP(EA), eV:	-9.43(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(2S)-2-methyl-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-yl]propanoyl-(2-phenylethyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CC(=O)N1CCN[C@@H](C1)C(=O)NCCC2=CC=CC=C2

DOS

IR

Vibrations