Geometry & MOs

Info

ID:

223823

PubChem CID:

85335623

Reduced:

O3N5F6C27H31 (1)

Stoich.:

A3B5C6D27E31 (1)

Weight, g/mol:

585.194283

ΔHf, kcal/mol:

-385.18

Dipole, Da:

4.21

IP(EA), eV:

 -9.55(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[2-[(4-methylsulfanylphenyl)sulfonylmethyl]-5-(propan-2-ylamino)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2C(N(C(=O)CN2CC3NC(=O)NN3)C)COCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations