Geometry & MOs

Info

ID:

219279

PubChem CID:

85098427

Reduced:

N8O9C32H54 (1)

Stoich.:

A8B9C32D54 (1)

Weight, g/mol:

695.227692

ΔHf, kcal/mol:

-396.38

Dipole, Da:

17.6

IP(EA), eV:

 -9.17(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-N-methyl-4-phenylmethoxy-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-1-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentane-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)NC(C(=O)NC1C(C(C(OC1C(CO)O)NC2=NC=NC3=C2NC=N3)O)O)NC(CC(C)C)C(=O)O

DOS

IR

Vibrations