Geometry & MOs

Info

ID:	227627
PubChem CID:	87562121
Reduced:	BNO3C18H26 (1)
Stoich.:	ABC3D18E26 (1)
Weight, g/mol:	311.03031
ΔH_f, kcal/mol:	-205.17
Dipole, Da:	4.12
IP(EA), eV:	-8.87(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-amino-3-sulfanylpropanoyl)amino]ethyl]-2-bromo-2-methylpropanamide

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C3CCCN3C=O)C

DOS

IR

Vibrations