Geometry & MOs

Info

ID:	383137
PubChem CID:	134974698
Reduced:	N2H18C23 (1)
Stoich.:	A2B18C23 (1)
Weight, g/mol:	313.150036
ΔH_f, kcal/mol:	118.69
Dipole, Da:	3.06
IP(EA), eV:	-8.57(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[5-methyl-2-[2-(4-methylphenyl)ethyl]phenyl] N,N-dimethylcarbamothioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2C=NC3=CC=CC=C23)C4=CNC5=CC=CC=C54

DOS

IR

Vibrations