Geometry & MOs

Info

ID:

311520

PubChem CID:

126592997

Reduced:

BrFSO3N4C15H18 (1)

Stoich.:

ABCD3E4F15G18 (1)

Weight, g/mol:

681.20744

ΔHf, kcal/mol:

-112.24

Dipole, Da:

3.48

IP(EA), eV:

 -9.29(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[[4-[4-[[4-[2-amino-2-(3-bromo-4-fluorophenyl)iminoacetyl]piperidine-1-carbonyl]amino]phenyl]pyrazol-1-yl]methyl]cyclopropyl]carbamate

Drug info:

PubChemData

Smile

C1C[C@H]2CC(C[C@@H]1N2S(=O)(=O)N)C(=O)C(=NC3=CC(=C(C=C3)F)Br)N

DOS

IR

Vibrations