Geometry & MOs

Info

ID:	440468
PubChem CID:	135230446
Reduced:	SF2O2N5H21C27 (1)
Stoich.:	AB2C2D5E21F27 (1)
Weight, g/mol:	344.062635
ΔH_f, kcal/mol:	-33.05
Dipole, Da:	5.85
IP(EA), eV:	-8.7(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)N2C3=CC=CC=C3N=C2SCC4=NC(=CC=C4)NC(=O)C(OC5=CC=CC=C5)(F)F

DOS

IR

Vibrations