Geometry & MOs

Info

ID:

440250

PubChem CID:

135230181

Reduced:

O2S3F4N15H25C36 (1)

Stoich.:

A2B3C4D15E25F36 (1)

Weight, g/mol:

746.173659

ΔHf, kcal/mol:

108.87

Dipole, Da:

6.82

IP(EA), eV:

 -9.42(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[5-[2-methyl-2-[[4-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]carbamoyloxy]propyl]-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylacetate

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=C(C=C(C=C3)C4=CN=C(C=C4)CSC5=NC6=C(N5C7=NN=NN7C)C=C(C=C6F)F)N=C2SCC8=CSC(=N8)NC(=O)C(OC9=CC=CC=C9)(F)F

DOS

IR

Vibrations