Geometry & MOs

Info

ID:

189515

PubChem CID:

77867636

Reduced:

O2N3C11H12 (2)

Stoich.:

A2B3C11D12 (2)

Weight, g/mol:

637.178216

ΔHf, kcal/mol:

-114.68

Dipole, Da:

6.19

IP(EA), eV:

 -8.44(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[4-(1,1-difluoropropyl)phenyl]methyl]-4-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1CN)C(=O)NC2=CN(C3=CC=CC=C32)C(=O)N)C(=O)NC4=CC(=CC=C4)O

DOS

IR

Vibrations