Geometry & MOs

Info

ID:	137822
PubChem CID:	52267707
Reduced:	N3O3C20H26 (1)
Stoich.:	A3B3C20D26 (1)
Weight, g/mol:	383.208316
ΔH_f, kcal/mol:	-49.64
Dipole, Da:	5.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.884857
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-2-[[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC[C@@H](C1=CC=CO1)[NH+](C)C)NC(=O)/C=C/C2=CC=CC=C2

DOS

IR

Vibrations