Geometry & MOs

Info

ID:	440431
PubChem CID:	135230408
Reduced:	S2N4H14C17 (1)
Stoich.:	A2B4C14D17 (1)
Weight, g/mol:	381.100794
ΔH_f, kcal/mol:	123.21
Dipole, Da:	3.76
IP(EA), eV:	-8.78(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NSC(=C1)N2C3=CC=CC=C3N=C2SCC4=CC=CC=N4

DOS

IR

Vibrations