Geometry & MOs

Info

ID:	208583
PubChem CID:	80549167
Reduced:	BrNSO3H14C15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	255.219829
ΔH_f, kcal/mol:	-85.52
Dipole, Da:	8.45
IP(EA), eV:	-9.1(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4-[2-methylpropyl(pentan-3-yl)amino]but-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)NC(=O)C2=C(C=CS2)Br)C(=O)O

DOS

IR

Vibrations