Geometry & MOs

Info

ID:	440330
PubChem CID:	135230277
Reduced:	FON6C9H11 (1)
Stoich.:	ABC6D9E11 (1)
Weight, g/mol:	396.184464
ΔH_f, kcal/mol:	21.3
Dipole, Da:	7.63
IP(EA), eV:	-9.02(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-(cyclopropylmethyl)-1-[(E)-1-[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylpropan-2-ylideneamino]prop-1-en-1-amine

Drug info:

PubChemData

Smile

CN1C(=NN=N1)NC2=C(C(=CC(=C2)F)OC)N

DOS

IR

Vibrations