Geometry & MOs

Info

ID:	158034
PubChem CID:	56459424
Reduced:	OSN2C10H11 (2)
Stoich.:	ABC2D10E11 (2)
Weight, g/mol:	410.166414
ΔH_f, kcal/mol:	-17.29
Dipole, Da:	5.64
IP(EA), eV:	-8.54(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenyl] N,N-dimethylcarbamothioate

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3SC(=O)N(C)C

DOS

IR

Vibrations