Geometry & MOs

Info

ID:

321301

PubChem CID:

126665735

Reduced:

O2F3N4H29C30 (1)

Stoich.:

A2B3C4D29E30 (1)

Weight, g/mol:

594.200251

ΔHf, kcal/mol:

-110.0

Dipole, Da:

5.34

IP(EA), eV:

 -8.85(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-[amino-[3-[5-[[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylidene]carbamic acid

Drug info:

PubChemData

Smile

C1CC1CCOC(C2=CC=CC=C2)C3=CC(=CC=C3)NC(=O)C4=CN(N=C4C(F)(F)F)C5=CC=CC(=C5)CN

DOS

IR

Vibrations