Geometry & MOs

Info

ID:	393520
PubChem CID:	135020886
Reduced:	BrN2S2O4H13C15 (1)
Stoich.:	AB2C2D4E13F15 (1)
Weight, g/mol:	441.96566
ΔH_f, kcal/mol:	-77.76
Dipole, Da:	3.46
IP(EA), eV:	-8.53(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-3-(1H-indol-2-yl)propanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(N2)C[C@H](C(=O)O)NS(=O)(=O)C3=CC=C(S3)Br

DOS

IR

Vibrations