Geometry & MOs

Info

ID:

297380

PubChem CID:

117616495

Reduced:

Cl2O4N5F8H31C32 (1)

Stoich.:

A2B4C5D8E31F32 (1)

Weight, g/mol:

485.231456

ΔHf, kcal/mol:

-516.49

Dipole, Da:

9.14

IP(EA), eV:

 -9.18(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-methoxy-3-[methyl-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(4-phenylphenyl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C1=C2C(=NC(=NC2(NN1C3=C(C=C(C=C3Cl)C(C)(F)F)Cl)CC4=CC=CC=C4)C(F)(F)F)C(F)(F)F)C(=O)OC(C)(C)C

DOS

IR

Vibrations