Geometry & MOs

Info

ID:	226670
PubChem CID:	87551006
Reduced:	ClSN2O5H27C28 (1)
Stoich.:	ABC2D5E27F28 (1)
Weight, g/mol:	352.118985
ΔH_f, kcal/mol:	-112.78
Dipole, Da:	2.45
IP(EA), eV:	-8.84(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butoxycarbonyl (2S)-2-amino-3-(6-chloro-1H-indol-3-yl)-2-methylpropanoate

Drug info:

PubChemData

Smile

C1CC(C1)N2CCC(CC2)OC3=C(C=C4C(=C3)OC(=C4C5=CC=CC=C5)C(=O)N6CCSC(=O)C6=O)Cl

DOS

IR

Vibrations