Geometry & MOs

Info

ID:

232264

PubChem CID:

87575834

Reduced:

SCl2F4N4O5H32C33 (1)

Stoich.:

AB2C4D4E5F32G33 (1)

Weight, g/mol:

628.147796

ΔHf, kcal/mol:

-343.66

Dipole, Da:

3.64

IP(EA), eV:

 -8.87(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(aminomethylideneamino)propyl]-5-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluoro-3-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=C(C=C1)Cl)Cl)C2=CN=C(N2C3=CC(=C(C=C3)F)OC)SCC4=CC(=C(C=C4)CCC[NH+]=CN)C(=O)O.C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations