Geometry & MOs

Info

ID:	140936
PubChem CID:	52786178
Reduced:	BrO2S2N3C13H14 (1)
Stoich.:	AB2C2D3E13F14 (1)
Weight, g/mol:	386.141262
ΔH_f, kcal/mol:	-12.11
Dipole, Da:	1.45
IP(EA), eV:	-8.69(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[2-[(1-ethylindol-5-yl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](C)SC1=NN=C(S1)NC2=CC(=CC=C2)Br

DOS

IR

Vibrations