Geometry & MOs

Info

ID:	291991
PubChem CID:	114001235
Reduced:	NSO3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	272.038627
ΔH_f, kcal/mol:	-115.89
Dipole, Da:	3.24
IP(EA), eV:	-8.04(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-carbamothioyl-2-chlorophenyl)-3-methoxypropanamide

Drug info:

PubChemData

Smile

CC1=C(C=CO1)SC2CC3(CCC2N)OCCO3

DOS

IR

Vibrations