Geometry & MOs

Info

ID:

136204

PubChem CID:

51997962

Reduced:

SO2N6C20H25 (1)

Stoich.:

AB2C6D20E25 (1)

Weight, g/mol:

439.153206

ΔHf, kcal/mol:

39.53

Dipole, Da:

16.56

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.807242

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1-benzylbenzimidazol-2-yl)methyl]-7-methoxy-4-oxochromene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)C[NH2+]CCSC3=NN=NN3C

DOS

IR

Vibrations