Geometry & MOs

Info

ID:	261978
PubChem CID:	103263776
Reduced:	NO2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	231.1293
ΔH_f, kcal/mol:	-155.11
Dipole, Da:	6.59
IP(EA), eV:	-9.62(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-4-(4-methylsulfanylbutylamino)but-2-enoate

Drug info:

PubChemData

Smile

CC(C)CNC(=O)CNCC1=C(C=CO1)C(=O)O

DOS

IR

Vibrations