Geometry & MOs

Info

ID:

190382

PubChem CID:

77994398

Reduced:

N2O11C45H68 (1)

Stoich.:

A2B11C45D68 (1)

Weight, g/mol:

531.245724

ΔHf, kcal/mol:

-514.67

Dipole, Da:

6.68

IP(EA), eV:

 -7.87(0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)N8CCCCC8)C)C)C)OC1

DOS

IR

Vibrations