Geometry & MOs

Info

ID:	29435
PubChem CID:	833797
Reduced:	O2N6C13H14 (1)
Stoich.:	A2B6C13D14 (1)
Weight, g/mol:	314.108899
ΔH_f, kcal/mol:	49.53
Dipole, Da:	3.67
IP(EA), eV:	-8.95(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenoxy)-N-[(2-methylphenyl)carbamothioyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(N2CCCC(=O)N)C3=NON=C3N

DOS

IR

Vibrations