Geometry & MOs

Info

ID:

189511

PubChem CID:

77867095

Reduced:

F2O2N6C29H32 (1)

Stoich.:

A2B2C6D29E32 (1)

Weight, g/mol:

680.15919

ΔHf, kcal/mol:

-54.58

Dipole, Da:

7.32

IP(EA), eV:

 -8.92(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-bromo-5-(1-methylsulfonylpiperidin-4-yl)-2-phenylpyrazol-3-yl]-3-[4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=CC=C2)C3=CCCC=C3)NC(=O)NC4CN(CC4C5=CC(=C(C=C5)F)F)CCOC

DOS

IR

Vibrations