Geometry & MOs

Info

ID:

179823

PubChem CID:

76537426

Reduced:

NSO5F7C32H32 (1)

Stoich.:

ABC5D7E32F32 (1)

Weight, g/mol:

638.206276

ΔHf, kcal/mol:

-534.84

Dipole, Da:

6.34

IP(EA), eV:

 -9.44(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[[4-chloro-3-[[[1-[4-[3-(3-chlorophenoxy)propyl]phenyl]-6-oxopiperazine-2-carbonyl]-cyclopropylamino]methyl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1CC2=C(C=CC(=C2)S(=O)(=O)C(C)C)C3=CC(=C(C=C3OC)F)C(C)C)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations