Geometry & MOs

Info

ID:	440312
PubChem CID:	135230259
Reduced:	SO2N8C20H24 (1)
Stoich.:	AB2C8D20E24 (1)
Weight, g/mol:	358.078285
ΔH_f, kcal/mol:	51.82
Dipole, Da:	2.46
IP(EA), eV:	-8.6(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=CC(=N1)CSC2=NC3=CC=CC=C3N2C(=N)N(C)N=N

DOS

IR

Vibrations