Geometry & MOs

Info

ID:

321349

PubChem CID:

126665848

Reduced:

N3F4O4H17C22 (1)

Stoich.:

A3B4C4D17E22 (1)

Weight, g/mol:

711.267997

ΔHf, kcal/mol:

-226.55

Dipole, Da:

3.39

IP(EA), eV:

 -8.47(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclopropylmethyl-[[4-fluoro-3-[[2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]phenyl]-(4-methoxyphenyl)methyl]carbamic acid

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=O)N(N=C2C3=C(C=CC(=C3)OC)OC)CC4=CC(=C(C=C4)F)C(F)(F)F

DOS

IR

Vibrations