Geometry & MOs

Info

ID:	182632
PubChem CID:	76916904
Reduced:	OS2N3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	257.137556
ΔH_f, kcal/mol:	15.89
Dipole, Da:	3.17
IP(EA), eV:	-8.76(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)(CN1C(=O)C2C(=NC1=S)C=CS2)N(C)C

DOS

IR

Vibrations