Geometry & MOs

Info

ID:	326472
PubChem CID:	126687629
Reduced:	OSN3C21H35 (1)
Stoich.:	ABC3D21E35 (1)
Weight, g/mol:	128.094963
ΔH_f, kcal/mol:	-55.98
Dipole, Da:	2.86
IP(EA), eV:	-8.71(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-methyl-N-oxopentanimidamide

Drug info:

PubChemData

Smile

CCCN[C@@H]1CCC2=C(C1)SC(=N2)NC(=O)C(C)(C)CC(=C)CC(C)C

DOS

IR

Vibrations