Geometry & MOs

Info

ID:	444537
PubChem CID:	135262756
Reduced:	N3O3H27C28 (1)
Stoich.:	A3B3C27D28 (1)
Weight, g/mol:	508.09977
ΔH_f, kcal/mol:	-41.08
Dipole, Da:	3.56
IP(EA), eV:	-8.58(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[2-[[(2-bromo-4-methylphenyl)-(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]indol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC=CC=C2C(C3=CC=CC=C3)NC(=O)CC4=CC5=C(C=C4)NC(=O)C5=O

DOS

IR

Vibrations