Geometry & MOs

Info

ID:	549
PubChem CID:	2976
Reduced:	N2O5C26H32 (1)
Stoich.:	A2B5C26D32 (1)
Weight, g/mol:	452.231122
ΔH_f, kcal/mol:	-193.87
Dipole, Da:	3.6
IP(EA), eV:	-9.32(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,3-dihydro-1H-inden-2-yl-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N(CC(=O)O)C2CC3=CC=CC=C3C2

DOS

IR

Vibrations