Geometry & MOs

Info

ID:

176865

PubChem CID:

76106812

Reduced:

N3O4C28H35 (1)

Stoich.:

A3B4C28D35 (1)

Weight, g/mol:

2930.35021

ΔHf, kcal/mol:

-142.62

Dipole, Da:

5.27

IP(EA), eV:

-8.59(-0.18)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

1-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl]-3-[[4-cyano-2-[3-(methanesulfonamido)phenyl]pyrazol-3-yl]amino]urea;1-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-3-[3-(2,4-dimethylphenoxy)propyl]urea;1-[(5,6-dichloropyrimidin-4-yl)amino]-3-[3-(2-ethylhexoxy)propyl]urea;1-[4-(2,4-dimethylphenoxy)butyl]-3-[(5-methyl-1,2,4-triazin-3-yl)amino]urea;1-[3-(2,4-dimethylphenoxy)propyl]-3-[[3-methyl-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)pyridin-2-yl]amino]urea;1-[(5-isocyano-1-methyl-3-methylsulfonylpyrrol-2-yl)amino]-3-(2-methylphenyl)urea;1-octoxy-2-(4-propoxyphenyl)sulfinamoyloxybenzene

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C)CC1=CN(C2=CC=CC=C21)C(=O)N(C)CC3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations