Geometry & MOs

Info

ID:	29401
PubChem CID:	833548
Reduced:	OSN2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	298.113984
ΔH_f, kcal/mol:	-29.9
Dipole, Da:	4.31
IP(EA), eV:	-8.6(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[ethyl(phenyl)carbamothioyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C(=S)NC(=O)C2CCCCC2

DOS

IR

Vibrations