Geometry & MOs

Info

ID:	158033
PubChem CID:	56459423
Reduced:	BrSN2O3C18H19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	414.118418
ΔH_f, kcal/mol:	-80.67
Dipole, Da:	6.28
IP(EA), eV:	-8.98(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[2-[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]phenyl] N,N-dimethylcarbamothioate

Drug info:

PubChemData

Smile

CN(C)C(=O)SC1=CC=CC=C1NC(=O)CCOC2=CC(=CC=C2)Br

DOS

IR

Vibrations