Geometry & MOs

Info

ID:

81652

PubChem CID:

49854969

Reduced:

O4F5N6H25C28 (1)

Stoich.:

A4B5C6D25E28 (1)

Weight, g/mol:

620.156194

ΔHf, kcal/mol:

-304.47

Dipole, Da:

6.76

IP(EA), eV:

 -8.6(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[3-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]-5-fluorophenyl]methylamino]-N-[(2,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CNC(=O)C2=C(C=NN2)NCC3=CC(=CC(=C3)F)NC(=O)NC4=C(C=C(C=C4)C(F)(F)F)F)OC

DOS

IR

Vibrations