Geometry & MOs

Info

ID:

169921

PubChem CID:

75167777

Reduced:

N2O2H20C23 (1)

Stoich.:

A2B2C20D23 (1)

Weight, g/mol:

700.24663

ΔHf, kcal/mol:

-0.17

Dipole, Da:

4.68

IP(EA), eV:

 -8.62(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(methanesulfonamido)-2-methoxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]-1-methyl-7-[[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]methyl]indole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C=C(C4=CC=CC=C43)CC(C(=O)O)N

DOS

IR

Vibrations