Geometry & MOs

Info

ID:

223878

PubChem CID:

85335692

Reduced:

SCl2N4O7C27H36 (1)

Stoich.:

AB2C4D7E27F36 (1)

Weight, g/mol:

631.26514

ΔHf, kcal/mol:

-314.17

Dipole, Da:

9.11

IP(EA), eV:

 -9.21(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4,6-dimethylpyrimidin-5-yl)-[4-[4-[2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]methanone;sulfuric acid

Drug info:

PubChemData

Smile

COC(=O)C(CCC(=O)N1CCC(CC1)CN2CCCC2=O)NC(=O)C3CCCN3S(=O)(=O)C4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations