Geometry & MOs

Info

ID:	38563
PubChem CID:	8137076
Reduced:	BrSN3O4C14H18 (1)
Stoich.:	ABC3D4E14F18 (1)
Weight, g/mol:	388.109293
ΔH_f, kcal/mol:	-126.22
Dipole, Da:	4.71
IP(EA), eV:	-10.11(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

C1CC1NC(=O)CNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations