Geometry & MOs

Info

ID:	307317
PubChem CID:	125299567
Reduced:	FN3O5C26H32 (1)
Stoich.:	AB3C5D26E32 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-189.21
Dipole, Da:	4.61
IP(EA), eV:	-8.8(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[2-(2H-indol-3-yl)ethylcarbamoylamino]propanoate

Drug info:

PubChemData

Smile

CCN(CC)CCCN1[C@@H](C(=C(C2=C(C(=N[C@H]2C)C(=O)OC)C)O)C(=O)C1=O)C3=CC=CC=C3F

DOS

IR

Vibrations