Geometry & MOs

Info

ID:	38361
PubChem CID:	8032496
Reduced:	N4O4C23H26 (1)
Stoich.:	A4B4C23D26 (1)
Weight, g/mol:	385.99493
ΔH_f, kcal/mol:	-117.31
Dipole, Da:	2.89
IP(EA), eV:	-7.86(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(4-bromophenyl)tetrazol-5-yl]methylsulfanyl]-1H-benzimidazole

Drug info:

PubChemData

Smile

CCNC1=CC(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)N)N4CCN(CC4)C(=O)OCC

DOS

IR

Vibrations