Geometry & MOs

Info

ID:

435129

PubChem CID:

135181306

Reduced:

SN5C18H21 (1)

Stoich.:

AB5C18D21 (1)

Weight, g/mol:

720.119924

ΔHf, kcal/mol:

95.83

Dipole, Da:

6.59

IP(EA), eV:

 -9.31(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[3-[[(3Z,5E)-5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-3-methylocta-3,5-dienoyl]amino]azetidin-1-yl]sulfonylcarbamate

Drug info:

PubChemData

Smile

CC1CN=C(SC1)NC(=C(C#N)C#N)C2=CN=C(C=C2)C(C)(C)C

DOS

IR

Vibrations