Geometry & MOs

Info

ID:	251973
PubChem CID:	103108209
Reduced:	O2F3N3C12H18 (1)
Stoich.:	A2B3C3D12E18 (1)
Weight, g/mol:	231.140533
ΔH_f, kcal/mol:	-226.07
Dipole, Da:	3.93
IP(EA), eV:	-10.35(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-methyl-2-(propan-2-ylcarbamothioylamino)propanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCC(F)(F)F)CC(C)C

DOS

IR

Vibrations