Geometry & MOs

Info

ID:	151020
PubChem CID:	53790717
Reduced:	ON2C10H20 (1)
Stoich.:	AB2C10D20 (1)
Weight, g/mol:	117.024835
ΔH_f, kcal/mol:	-40.21
Dipole, Da:	3.79
IP(EA), eV:	-9.54(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-oxopropanethioamide

Drug info:

PubChemData

Smile

CC(C)CCC(=O)N(CCC=C)N

DOS

IR

Vibrations