Geometry & MOs

Info

ID:	437519
PubChem CID:	135226506
Reduced:	BrSF3O3N6H16C19 (1)
Stoich.:	ABC3D3E6F16G19 (1)
Weight, g/mol:	211.0667
ΔH_f, kcal/mol:	-183.92
Dipole, Da:	11.36
IP(EA), eV:	-8.98(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-amino-4-sulfanylphenyl)acetate

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)CN2C3=C(C(=N2)C(=O)N)SC(=C3)C(F)(F)F)C(=O)NC4=NC(=CC=C4)Br

DOS

IR

Vibrations