Geometry & MOs

Info

ID:	440290
PubChem CID:	135230237
Reduced:	BrSN7H12C15 (1)
Stoich.:	ABC7D12E15 (1)
Weight, g/mol:	359.116444
ΔH_f, kcal/mol:	180.67
Dipole, Da:	3.04
IP(EA), eV:	-9.12(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanyl-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=C(C=CC(=C3)Br)N=C2SCC4=CC=CC=N4

DOS

IR

Vibrations