Geometry & MOs

Info

ID:

298640

PubChem CID:

117653271

Reduced:

FN4O8C38H51 (1)

Stoich.:

AB4C8D38E51 (1)

Weight, g/mol:

488.087844

ΔHf, kcal/mol:

-275.93

Dipole, Da:

7.82

IP(EA), eV:

 -8.31(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[5-(trifluoromethylsulfonyl)-1H-indol-2-yl]methanone

Drug info:

PubChemData

Smile

CC1CC(C(C(/C=C(/C(C(/C=C/C=C(\C(=O)NC2=C(C(=O)C(=C(C1)C2=O)NCCN(C)C)C3=CC=C(C=C3)F)/C)OC)OC(=O)N)\C)C)O)OC

DOS

IR

Vibrations