Geometry & MOs

Info

ID:	305709
PubChem CID:	124966206
Reduced:	O3N5C22H31 (1)
Stoich.:	A3B5C22D31 (1)
Weight, g/mol:	463.155036
ΔH_f, kcal/mol:	-74.42
Dipole, Da:	8.77
IP(EA), eV:	-8.25(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2R)-2-benzyl-2-methyl-3H-1-benzofuran-5-carbonyl]-[2-(3-chlorophenyl)ethyl]amino]acetic acid

Drug info:

PubChemData

Smile

CCN1C=CC(=N1)C(=O)N2CCN([C@H](C2)C(=O)NCCOC3=C(C=C(C=C3)C)C)C

DOS

IR

Vibrations