Geometry & MOs

Info

ID:

321299

PubChem CID:

126665711

Reduced:

O2F3N5H28C34 (1)

Stoich.:

A2B3C5D28E34 (1)

Weight, g/mol:

637.267603

ΔHf, kcal/mol:

-49.65

Dipole, Da:

3.5

IP(EA), eV:

 -8.4(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

COC1=CC=C(C2=CC=CC=C21)C(C3=CC(=CC=C3)NC(=O)C4=CC(=NN4C5=CC=CC(=C5)C#N)C(F)(F)F)NCC6CC6

DOS

IR

Vibrations