Geometry & MOs

Info

ID:	308119
PubChem CID:	125317026
Reduced:	O3N4C24H24 (1)
Stoich.:	A3B4C24D24 (1)
Weight, g/mol:	491.216869
ΔH_f, kcal/mol:	7.05
Dipole, Da:	2.85
IP(EA), eV:	-8.97(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(2H-indol-3-yl)-2-[[(2R)-4-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]2C(=NN(C2=O)C3=CC=CC=C3)CC(=O)N1CCC4=CN=C5C4=C[C@@H](C=C5)OC

DOS

IR

Vibrations