Geometry & MOs

Info

ID:	195908
PubChem CID:	78747625
Reduced:	ON2S2C23H26 (1)
Stoich.:	AB2C2D23E26 (1)
Weight, g/mol:	348.130122
ΔH_f, kcal/mol:	31.75
Dipole, Da:	4.36
IP(EA), eV:	-8.25(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-(2-chlorophenyl)-2-[(2-methylphenyl)carbamothioylamino]ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=S)N(CC2=CC=C(C=C2)OC)C(C)CC3=CC=CS3

DOS

IR

Vibrations